BDBM50005875 4-Mercapto-10,13-dimethyl-1,6,7,8,10,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL41033

SMILES: C[C@]12CC=C3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O

InChI Key: InChIKey=CGTWLZRZZIZDQU-WHRTUQHWSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50005875   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50005875 (4-Mercapto-10,13-dimethyl-1,6,7,8,10,12,13,14,15,1...) Show SMILES C[C@]12CC=C3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O |c:3| Show InChI InChI=1S/C19H24O2S/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h7,11-12,14H,3-6,8-10H2,1-2H3/t11?,12?,14?,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					Assay Description Inhibition constant for human placental cytochrome P450 19A1				J Med Chem 35: 1588-97 (1992) BindingDB Entry DOI: 10.7270/Q2VD7022
					More data for this Ligand-Target Pair
Cytochrome P450 19A1 (Homo sapiens (Human))	BDBM50005875 (4-Mercapto-10,13-dimethyl-1,6,7,8,10,12,13,14,15,1...) Show SMILES C[C@]12CC=C3C(CCC4C(=S)C(=O)CC[C@]34C)C1CCC2=O |c:3| Show InChI InChI=1S/C19H24O2S/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h7,11-12,14H,3-6,8-10H2,1-2H3/t11?,12?,14?,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Roussel-UCLAF Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 19A1				J Med Chem 35: 1588-97 (1992) BindingDB Entry DOI: 10.7270/Q2VD7022
					More data for this Ligand-Target Pair