BDBM50094193 (R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol::(S)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol::CHEMBL136350

SMILES: CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1

InChI Key: InChIKey=KEUSUQKYRBAZTR-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50094193   

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 17A1 (Rattus norvegicus (Rat))	BDBM50094193 ((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1 |t:7| Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Rattus norvegicus (Rat))	BDBM50094193 ((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1 |t:7| Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from rat testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair
Cytochrome P450 17A1 (Homo sapiens (Human))	BDBM50094193 ((R)-10,13-Dimethyl-17-thiiranyl-2,3,4,7,8,9,10,11,...) Show SMILES CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C1CS1 |t:7| Show InChI InChI=1S/C21H32OS/c1-20-9-7-14(22)11-13(20)3-4-15-16-5-6-18(19-12-23-19)21(16,2)10-8-17(15)20/h3,14-19,22H,4-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of the Saarland Curated by ChEMBL					Assay Description Tested for inhibitory activity against Cytochrome P450 17 from human testicular microsomes				J Med Chem 43: 4437-45 (2000) BindingDB Entry DOI: 10.7270/Q25H7FH3
					More data for this Ligand-Target Pair