BDBM50032315 4-{2-[(E)-3-(1-Benzyl-1H-indol-5-yl)-but-2-enoylamino]-phenoxy}-butyric acid::CHEMBL329483

SMILES: C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccccc3)ccc2c1

InChI Key: InChIKey=HJVLGDNJKAKKCT-DYTRJAOYSA-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 = 50032315   

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)	BDBM50032315 (4-{2-[(E)-3-(1-Benzyl-1H-indol-5-yl)-but-2-enoylam...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C29H28N2O4/c1-21(18-28(32)30-25-10-5-6-11-27(25)35-17-7-12-29(33)34)23-13-14-26-24(19-23)15-16-31(26)20-22-8-3-2-4-9-22/h2-6,8-11,13-16,18-19H,7,12,17,20H2,1H3,(H,30,32)(H,33,34)/b21-18+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	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)	BDBM50032315 (4-{2-[(E)-3-(1-Benzyl-1H-indol-5-yl)-but-2-enoylam...) Show SMILES C\C(=C/C(=O)Nc1ccccc1OCCCC(O)=O)c1ccc2n(Cc3ccccc3)ccc2c1 Show InChI InChI=1S/C29H28N2O4/c1-21(18-28(32)30-25-10-5-6-11-27(25)35-17-7-12-29(33)34)23-13-14-26-24(19-23)15-16-31(26)20-22-8-3-2-4-9-22/h2-6,8-11,13-16,18-19H,7,12,17,20H2,1H3,(H,30,32)(H,33,34)/b21-18+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description 5 alpha- reductase inhibitory activity				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