BDBM50032297 4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-indol-5-yl}-but-2-enoylamino)-phenoxy]-butyric acid::CHEMBL318512

SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=GDFHMHIFQWULDA-XTQSDGFTSA-N

Data: 2 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 2 hits for monomerid = 50032297   

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
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50032297 (4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-i...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N2O4/c1-23(21-33(40)38-30-5-2-3-6-32(30)43-20-4-7-34(41)42)26-12-17-31-27(22-26)18-19-39(31)35(24-8-13-28(36)14-9-24)25-10-15-29(37)16-11-25/h2-3,5-6,8-19,21-22,35H,4,7,20H2,1H3,(H,38,40)(H,41,42)/b23-21+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibitory activity against Steroid 5-alpha-reductase in prostates from male rats				J Med Chem 38: 2887-92 (1995) Article DOI: 10.1021/jm00015a011 BindingDB Entry DOI: 10.7270/Q2B27Z0N
					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Rattus norvegicus)	BDBM50032297 (4-[2-((E)-3-{1-[Bis-(4-fluoro-phenyl)-methyl]-1H-i...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(ccc2c1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C35H30F2N2O4/c1-23(21-33(40)38-30-5-2-3-6-32(30)43-20-4-7-34(41)42)26-12-17-31-27(22-26)18-19-39(31)35(24-8-13-28(36)14-9-24)25-10-15-29(37)16-11-25/h2-3,5-6,8-19,21-22,35H,4,7,20H2,1H3,(H,38,40)(H,41,42)/b23-21+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Compound was tested in vitro for inhibitory activity against type 2 5-alpha reductase isozyme homogenated from rat epididymis				J Med Chem 39: 5047-52 (1997) Article DOI: 10.1021/jm9601819 BindingDB Entry DOI: 10.7270/Q2TQ6263
					More data for this Ligand-Target Pair