BDBM50032281 4-(2-{(E)-3-[1-(1-Propyl-pentyl)-1H-indol-5-yl]-but-2-enoylamino}-phenoxy)-butyric acid::CHEMBL99514

SMILES: CCCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O

InChI Key: InChIKey=PTKISLBHPBYWKH-LSDHQDQOSA-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 = 50032281   

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)	BDBM50032281 (4-(2-{(E)-3-[1-(1-Propyl-pentyl)-1H-indol-5-yl]-bu...) Show SMILES CCCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C30H38N2O4/c1-4-6-11-25(10-5-2)32-18-17-24-21-23(15-16-27(24)32)22(3)20-29(33)31-26-12-7-8-13-28(26)36-19-9-14-30(34)35/h7-8,12-13,15-18,20-21,25H,4-6,9-11,14,19H2,1-3H3,(H,31,33)(H,34,35)/b22-20+	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	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)	BDBM50032281 (4-(2-{(E)-3-[1-(1-Propyl-pentyl)-1H-indol-5-yl]-bu...) Show SMILES CCCCC(CCC)n1ccc2cc(ccc12)C(\C)=C\C(=O)Nc1ccccc1OCCCC(O)=O Show InChI InChI=1S/C30H38N2O4/c1-4-6-11-25(10-5-2)32-18-17-24-21-23(15-16-27(24)32)22(3)20-29(33)31-26-12-7-8-13-28(26)36-19-9-14-30(34)35/h7-8,12-13,15-18,20-21,25H,4-6,9-11,14,19H2,1-3H3,(H,31,33)(H,34,35)/b22-20+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	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