BDBM10061 (2R,15S)-15-methyl-2-[2-(prop-2-yn-1-ylsulfanyl)ethyl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),6-diene-5,14-dione::3,17-Dioxo-19-[(propargylthio)methyl]androsta-4,9(11)-diene::RU54115 Analog 22

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

InChI Key: InChIKey=POXPTICCDZYJNK-BVISAALYSA-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 = 10061   

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))	BDBM10061 ((2R,15S)-15-methyl-2-[2-(prop-2-yn-1-ylsulfanyl)et...) Show SMILES C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34CCSCC#C)C1CCC2=O |r,c:3,t:8| Show InChI InChI=1S/C23H28O2S/c1-3-13-26-14-12-23-11-8-17(24)15-16(23)4-5-18-19-6-7-21(25)22(19,2)10-9-20(18)23/h1,9,15,18-19H,4-8,10-14H2,2H3/t18?,19?,22-,23+/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	n/a	n/a
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