biotin

CHEBI:15956 EXACT SEEDED antiviralenzyme inhibitor

What these status tags mean

Curation status describes a workflow state. SEEDED means the record entered through the source-seeding workflow; it does not imply that no later curation occurred. PROPOSED marks an addition awaiting review; REVIEWED records curator sign-off on identity, structure, filing class and producer claims; DEPRECATED retains a superseded or out-of-scope record. These are workflow decisions, not independently verified human review. Agent-assisted contributions may appear in the record history.

Grounding describes the identifier mapping: EXACT uses an ontology identity asserted by the source; MINTED keeps a local identifier when no defensible ontology identity is available; REVIEW_NEEDED flags an exact structure whose ontology identity needs adjudication. The grounding note retains any unresolved alternatives. These tags do not establish the strength of producer or activity evidence.

An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins.

Structure

Standard InChIKey	YBJHBAHKTGYVGT-ZKWXMUAHSA-N
SMILES	OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Stereochemistry	fully defined
Cross-references	npatlas:NPA013155, pubchem:171548

Filing pathway

Alkaloids — computed by NPClassifier npclassifier.gnps2.org@2026-09-07, which is why it is pinned rather than recomputed. The gene cluster's asserted class is other, from MIBiG.

Producer organisms 2

A claim that this taxon makes the compound. The basis says what the evidence addressed — a knockout and a database assertion are not the same claim.

Taxon	Basis	Cluster	Evidence
Aspergillus nidulans NCBITaxon:162425	SOURCE_ASSERTION	mibig:BGC0001238	PMID:20713166
Aspergillus nidulans NCBITaxon:162425	SOURCE_ASSERTION	mibig:BGC0001239	PMID:20713166

Occurrences 23

Somebody found the compound in this organism and cited it. That is not a claim that the organism makes it, and nothing here promotes one to the other.

Taxon	Source	Reference
Mus musculus NCBITaxon:10090	CHEBI	PMID:19425150
Lysinibacillus sphaericus NCBITaxon:1421	LOTUS	DOI:10.1271/BBB1961.49.2783
Achromobacter NCBITaxon:222	LOTUS	DOI:10.1016/0006-291X(81)90262-X
Lipomyces starkeyi NCBITaxon:29829	LOTUS	DOI:10.2323/JGAM.20.277
Glycine max NCBITaxon:3847	LOTUS	DOI:10.1080/09540100903203004
Phaseolus vulgaris NCBITaxon:3885	LOTUS	DOI:10.3390/IJMS19041049
Phaseolus vulgaris NCBITaxon:3885	LOTUS	DOI:10.3390/METABO4030599
Phycomyces blakesleeanus NCBITaxon:4837	LOTUS	DOI:10.1016/0031-9422(96)00146-X
Escherichia coli NCBITaxon:562	LOTUS	DOI:10.1021/JA00085A061
Escherichia coli NCBITaxon:562	LOTUS	DOI:10.1038/MSB.2011.65
Escherichia coli NCBITaxon:562	LOTUS	DOI:10.1073/PNAS.69.8.2219
Escherichia coli NCBITaxon:562	CHEBI	PMID:21988831
Caenorhabditis elegans NCBITaxon:6239	LOTUS	DOI:10.3389/FMOLB.2018.00096
Artemia salina NCBITaxon:85549	LOTUS	DOI:10.1021/JF60200A008
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1007/S11306-012-0464-Y
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1007/S11306-016-1051-4
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1038/NBT.2488
Homo sapiens NCBITaxon:9606	LOTUS	DOI:10.1111/J.1600-0404.1999.TB07369.X
Homo sapiens NCBITaxon:9606	CHEBI	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Homo sapiens NCBITaxon:9606	CHEBI	MTBLS87
Homo sapiens NCBITaxon:9606	CHEBI	PMID:10577274
Homo sapiens NCBITaxon:9606	CHEBI	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Aspergillus nidulans NCBITaxon:162425	LOTUS	DOI:10.1016/J.FGB.2010.08.004

Biosynthetic gene clusters 2

Accession	Host	Locus evidence	Genome
mibig:BGC0001238	Aspergillus nidulans NCBITaxon:162425	CLUSTER_UNSTATED	genbank:FJ430072.1
mibig:BGC0001239	Aspergillus nidulans NCBITaxon:162425	CLUSTER_UNSTATED	genbank:FJ430073.1

A locus claim and a taxon claim are different questions. Heterologous expression settles the first and leaves the second where the isolation report left it.

Mechanism & Biosynthesis Overview

Causal graph — bioactivity 3 nodes, 2 edges

Biotin binds the Streptomyces avidinii streptavidin and chicken avidin subunits captured in homotetrameric biotin complexes.

Subject	Predicate	Object	Notes	Evidence
biotin	binds	Streptomyces avidinii streptavidin	PubChem BioAssay AID 977611 maps this exact Standard InChIKey to an active 40 fM Kd row for PDB 1STP chain A; PDBe maps 1STP_A to Streptomyces avidinii UniProtKB:P22629, and RCSB reports BTN biotin as the 1STP non-polymer ligand.	DOI:10.1126/science.2911722 DOI:10.2210/pdb1stp/pdb reference DOI:10.1126/science.2911722 evidence type PRIMARY_EXPERIMENT snippet Structural origins of high-affinity biotin binding to streptavidin. notes Weber et al. solved PDB 1STP as a biotin-bound Streptomyces avidinii streptavidin structure. reference DOI:10.2210/pdb1stp/pdb evidence type DATABASE_ASSERTION notes RCSB PDB identifies 1STP as a biotin-streptavidin crystal structure and PDBe maps chain A to the mature Streptomyces avidinii streptavidin sequence in UniProtKB:P22629.
biotin	binds	chicken avidin	PubChem BioAssay AID 977611 maps this exact Standard InChIKey to an active 1 fM Kd row for PDB 1AVD chain A; PDBe maps 1AVD_A to Gallus gallus UniProtKB:P02701, and RCSB reports BTN biotin as the 1AVD entity 3 ligand.	DOI:10.1006/jmbi.1993.1321 DOI:10.2210/pdb1avd/pdb reference DOI:10.1006/jmbi.1993.1321 evidence type PRIMARY_EXPERIMENT snippet egg-white avidin in its functional complex with biotin notes Pugliese et al. solved PDB 1AVD as a biotin-bound chicken egg-white avidin structure. reference DOI:10.2210/pdb1avd/pdb evidence type DATABASE_ASSERTION notes RCSB PDB identifies 1AVD as a chicken avidin crystal structure with BTN biotin ligands, and PDBe maps chain A to the mature Gallus gallus avidin sequence in UniProtKB:P02701.

Every edge carries its own citation; an uncited edge is refused by the corpus tests.

Bioactivities 25

Entries preserve source qualifiers, targets and evidence. Repeated assay names or values are not independent replications; inspect source detail for differences.

Explore across X-Mech

AntibioticMech (biotin) ↗ MediaIngredientMech (CHEBI:15956) ↗ TaxonMech: Aspergillus nidulans (NCBITaxon:162425) ↗ TaxonMech: Aspergillus nidulans (NCBITaxon:162425) ↗ PathwayMech (mibig:BGC0001238) ↗ PathwayMech (mibig:BGC0001239) ↗

Open questions 1

shared-structure — This structure is reported by more than one MIBiG entry: BGC0001238, BGC0001239. Confirm they describe the same compound rather than an upstream cross-reference error.

Provenance

Source concept	Source	Version
BGC0001238	MIBIG	3
BGC0001239	MIBIG	3
CHEBI:15956	CHEBI	3-star

This page is generated from data/natural_products/alkaloids/biotin.yaml, which is generated from the committed inventories. Neither is edited by hand.

Assay	Result	Target enzyme	Source detail
Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE	EC50 2.526 uM; ACTIVE	Not recorded	pubchem.aid:588681 assay Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE evidence reference pubchem.aid:588681 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 588681, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. Target accession NP_004960 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type EC50 value 2.526 units uM
Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay to identify fluorescent artifacts and/or optically active compounds	EC50 2.057 uM; ACTIVE	Not recorded	pubchem.aid:588442 assay Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay to identify fluorescent artifacts and/or optically active compounds evidence reference pubchem.aid:588442 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 588442, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. call ACTIVE measurement type EC50 value 2.057 units uM
Counterscreen for activators of insulin-degrading enzyme (IDE): fluorescence-based cell-based high throughput dose response LDH release assay to identify compounds that are cytotoxic to HEK cells or compromise cell membrane permeability	IC50 89.251 uM; INACTIVE	Not recorded	pubchem.aid:588440 assay Counterscreen for activators of insulin-degrading enzyme (IDE): fluorescence-based cell-based high throughput dose response LDH release assay to identify compounds that are cytotoxic to HEK cells or compromise cell membrane permeability evidence reference pubchem.aid:588440 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 588440, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. call INACTIVE measurement type IC50 value 89.251 units uM
Counterscreen for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl): Fluorescence-based biochemical high throughput dose response assay to identify GFP inhibitors and fluorescence quenchers	IC50 67.588 uM; INACTIVE	Not recorded	pubchem.aid:602182 assay Counterscreen for inhibitors of the interaction of the Ras and Rab interactor 1 protein (Rin1) and the c-abl oncogene 1, non-receptor tyrosine kinase (Abl): Fluorescence-based biochemical high throughput dose response assay to identify GFP inhibitors and fluorescence quenchers evidence reference pubchem.aid:602182 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 602182, deposited by The Scripps Research Institute Molecular Screening Center; assay type Confirmatory. Target accession CAA58789 was left ungrounded because PubChem did not provide a UniProtKB accession. call INACTIVE measurement type IC50 value 67.588 units uM
Cytochrome P450 Family 2 Subfamily C Member 19 (CYP2C19) small molecule antagonists: luciferase reporter qHTS assay	OTHER 0.1096 uM; INACTIVE	Not recorded	pubchem.aid:1671197 assay Cytochrome P450 Family 2 Subfamily C Member 19 (CYP2C19) small molecule antagonists: luciferase reporter qHTS assay evidence reference pubchem.aid:1671197 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1671197, deposited by 824; assay type Confirmatory. Source endpoint: Potency. call INACTIVE measurement type OTHER value 0.1096 units uM
Cytochrome P450 Family 2 Subfamily C Member 19 (CYP2C19) small molecule antagonists: luciferase reporter qHTS assay	OTHER 0.1096 uM; INACTIVE	Not recorded	pubchem.aid:1671197 assay Cytochrome P450 Family 2 Subfamily C Member 19 (CYP2C19) small molecule antagonists: luciferase reporter qHTS assay evidence reference pubchem.aid:1671197 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1671197, deposited by 824; assay type Confirmatory. Source endpoint: Potency. Target accession AAV41877 was left ungrounded because PubChem did not provide a UniProtKB accession. call INACTIVE measurement type OTHER value 0.1096 units uM
Cytochrome P450 Family 2 Subfamily D Member 6 (CYP2D6) small molecule antagonists: luciferase reporter qHTS assay	OTHER 43.6486 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1671196 assay Cytochrome P450 Family 2 Subfamily D Member 6 (CYP2D6) small molecule antagonists: luciferase reporter qHTS assay evidence reference pubchem.aid:1671196 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1671196, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 43.6486 units uM
Cytochrome P450 Family 2 Subfamily D Member 6 (CYP2D6) small molecule antagonists: luciferase reporter qHTS assay	OTHER 43.6486 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1671196 assay Cytochrome P450 Family 2 Subfamily D Member 6 (CYP2D6) small molecule antagonists: luciferase reporter qHTS assay evidence reference pubchem.aid:1671196 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1671196, deposited by 824; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession ANW61984 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 43.6486 units uM
Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: luciferase cell-based qHTS assay	OTHER 21.8761 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1963596 assay Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: luciferase cell-based qHTS assay evidence reference pubchem.aid:1963596 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1963596, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. call NOT_DETERMINED measurement type OTHER value 21.8761 units uM
Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: luciferase cell-based qHTS assay	OTHER 21.8761 uM; NOT_DETERMINED	Not recorded	pubchem.aid:1963596 assay Cytochrome P450 family 3 subfamily A member 7 (CYP3A7) small molecule antagonists: luciferase cell-based qHTS assay evidence reference pubchem.aid:1963596 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 1963596, deposited by NCGC; assay type Confirmatory. Source outcome: Inconclusive. Source endpoint: Potency. Target accession NP_000756 was left ungrounded because PubChem did not provide a UniProtKB accession. call NOT_DETERMINED measurement type OTHER value 21.8761 units uM
Discovery of Small Molecule Probes for H1N1 Influenza NS1A	IC50 0.2 uM; ACTIVE	Not recorded	pubchem.aid:504329 assay Discovery of Small Molecule Probes for H1N1 Influenza NS1A evidence reference pubchem.aid:504329 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 504329, deposited by Southern Research Specialized Biocontainment Screening Center; assay type Confirmatory. Target accession ACP44172 was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type IC50 value 0.2 units uM activity class ANTIVIRAL
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1e-09 uM; ACTIVE	Not recorded	PMID:8515446 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:8515446 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1AVD_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1e-09 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 0.0002 uM; ACTIVE	Not recorded	PMID:10850797 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:10850797 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1DF8_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 0.0002 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 0.0002 uM; ACTIVE	Not recorded	PMID:10850797 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:10850797 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1DF8_B was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 0.0002 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 2.8e-05 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1N43_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 2.8e-05 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 2.8e-05 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1N43_D was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 2.8e-05 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1.1e-05 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1N9M_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1.1e-05 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1.1e-05 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1N9M_D was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1.1e-05 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 6.9e-07 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1NDJ_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 6.9e-07 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 6.9e-07 uM; ACTIVE	Not recorded	PMID:12925786 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:12925786 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1NDJ_D was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 6.9e-07 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 4e-08 uM; ACTIVE	Not recorded	PMID:2911722 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:2911722 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1STP_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 4e-08 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 0.0439 uM; ACTIVE	Not recorded	PMID:9568892 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:9568892 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1SWG_D was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 0.0439 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1e-06 uM; ACTIVE	Not recorded	PMID:9636711 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:9636711 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1SWK_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1e-06 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1e-06 uM; ACTIVE	Not recorded	PMID:9636711 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:9636711 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1SWK_D was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1e-06 units uM activity class ENZYME_INHIBITOR
Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB	KD 1e-06 uM; ACTIVE	Not recorded	PMID:9636711 assay Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB evidence reference PMID:9636711 evidence type DATABASE_ASSERTION notes PubChem BioAssay AID 977611, deposited by Shanghai Institute of Organic Chemistry; assay type Other. Target accession 1SWN_A was left ungrounded because PubChem did not provide a UniProtKB accession. call ACTIVE measurement type KD value 1e-06 units uM activity class ENZYME_INHIBITOR notes 78 further PubChem assay results are in data/raw/pubchem_bioassay.tsv but not written here.