BDBM10058 (2R,15S)-15-methyl-2-{2-[(2-sulfanylethyl)sulfanyl]ethyl}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-diene-5,14-dione::3,17-Dioxo-19-[[(2-mercaptoethyl)thio]methyl]androsta-4,9(11)-diene::RU54115 Analog 17

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

InChI Key: InChIKey=IDSJJDZAQNIXSV-GHZCZGOHSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 10058   

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))	BDBM10058 ((2R,15S)-15-methyl-2-{2-[(2-sulfanylethyl)sulfanyl...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCCS)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C22H30O2S2/c1-21-8-7-19-17(18(21)4-5-20(21)24)3-2-15-14-16(23)6-9-22(15,19)10-12-26-13-11-25/h7,14,17-18,25H,2-6,8-13H2,1H3/t17?,18?,21-,22+/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	>1.00E+3	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
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