BDBM50005878 4-Chloromethylsulfanyl-10,13-dimethyl-1,6,7,8,10,12,13,14,15,16-decahydro-2H-cyclopenta[a]phenanthrene-3,17-dione::CHEMBL442542

SMILES: C[C@]12CC=C3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O

InChI Key: InChIKey=IJJJTAZQYVCQBF-NWUYABBNSA-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 = 50005878   

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))	BDBM50005878 (4-Chloromethylsulfanyl-10,13-dimethyl-1,6,7,8,10,1...) Show SMILES C[C@]12CC=C3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:3,8| Show InChI InChI=1S/C20H25ClO2S/c1-19-10-8-16(22)18(24-11-21)15(19)4-3-12-13-5-6-17(23)20(13,2)9-7-14(12)19/h7,12-13H,3-6,8-11H2,1-2H3/t12?,13?,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	27	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))	BDBM50005878 (4-Chloromethylsulfanyl-10,13-dimethyl-1,6,7,8,10,1...) Show SMILES C[C@]12CC=C3C(CCC4=C(SCCl)C(=O)CC[C@]34C)C1CCC2=O |c:3,8| Show InChI InChI=1S/C20H25ClO2S/c1-19-10-8-16(22)18(24-11-21)15(19)4-3-12-13-5-6-17(23)20(13,2)9-7-14(12)19/h7,12-13H,3-6,8-11H2,1-2H3/t12?,13?,19-,20+/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	860	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