BDBM10046 (2S,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione::3,17-Dioxo-19-[(methylthio)methyl]androst-4-ene::RU54115 Analog 34

SMILES: CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21

InChI Key: InChIKey=UFSRRJNBBLVBOT-GAYSYORFSA-N

Data: 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 1 hit for monomerid = 10046   

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))	BDBM10046 ((2S,15S)-15-methyl-2-[2-(methylsulfanyl)ethyl]tetr...) Show SMILES CSCC[C@]12CCC(=O)C=C1CCC1C3CCC(=O)[C@@]3(C)CCC21 |r,c:9| Show InChI InChI=1S/C21H30O2S/c1-20-9-8-18-16(17(20)5-6-19(20)23)4-3-14-13-15(22)7-10-21(14,18)11-12-24-2/h13,16-18H,3-12H2,1-2H3/t16?,17?,18?,20-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	37
Centre de Recherche de Roussel Uclaf					Assay Description The enzyme activity was assayed by measuring the formation of tritiated water from [1beta, 2beta-3H ]androstenedione in the presence of increasing co...				J Med Chem 39: 757-72 (1996) Article DOI: 10.1021/jm950539l BindingDB Entry DOI: 10.7270/Q28C9TGH
					More data for this Ligand-Target Pair