BDBM50274157 CHEMBL4127656

SMILES: CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1

InChI Key: InChIKey=FYXOMKGWMPRNRT-ONEGZZNKSA-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 = 50274157   

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 (Homo sapiens (Human))	BDBM50274157 (CHEMBL4127656) Show SMILES CC(C)S(=O)(=O)N1CCN(CC1)c1ccc(\C=C\c2cc(F)cc(c2)-c2ccncc2)cc1 Show InChI InChI=1S/C26H28FN3O2S/c1-20(2)33(31,32)30-15-13-29(14-16-30)26-7-5-21(6-8-26)3-4-22-17-24(19-25(27)18-22)23-9-11-28-12-10-23/h3-12,17-20H,13-16H2,1-2H3/b4-3+	PDB 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	n/a	n/a	n/a	n/a	n/a	n/a
Temple University School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant CYP17 (unknown origin) expressed in human AD293 cells using [21-3H]17alpha-hydroxypregnenolone as substrate preincubated fo...				Bioorg Med Chem Lett 28: 2270-2274 (2018) Article DOI: 10.1016/j.bmcl.2018.05.040 BindingDB Entry DOI: 10.7270/Q2RJ4N0B
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