Affinity Data by PDB ID

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PDB code 3S79

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Aromatase (CYP19) (503/503 = 100%)^† (Homo sapiens (human))	BDBM50025428 (10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dode...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description Binding affinity for aromatase cytochrome P45019A1 by analysis of Dixon plot				J Med Chem 37: 2198-205 (1994) Article DOI: 10.1021/jm00040a012 BindingDB Entry DOI: 10.7270/Q22F7MG3
Tohoku College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aromatase (CYP19) (503/503 = 100%)^† (Homo sapiens (human))	BDBM50025428 (10,13-Dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dode...) Show SMILES CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku College of Pharmacy Curated by ChEMBL					Assay Description In vitro competetitive inhibitory activity was measured on Cytochrome P450 19A1 of human placental microsomes				J Med Chem 37: 2198-205 (1994) Article DOI: 10.1021/jm00040a012 BindingDB Entry DOI: 10.7270/Q22F7MG3
Tohoku College of Pharmacy Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output