BDBM50214512 CHEMBL319586

SMILES: COc1ccccc1N1CCN(CCCCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1

InChI Key: InChIKey=WLSFNAXEYCGJIJ-UHFFFAOYSA-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 = 50214512   

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
3-oxo-5-alpha-steroid 4-dehydrogenase 1/2 (Rattus norvegicus)	BDBM50214512 (CHEMBL319586) Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc(cc2)C(=O)Nc2ccccc2OCCCC(O)=O)CC1 Show InChI InChI=1S/C32H39N3O6/c1-39-30-12-5-3-10-28(30)35-21-19-34(20-22-35)18-6-7-23-40-26-16-14-25(15-17-26)32(38)33-27-9-2-4-11-29(27)41-24-8-13-31(36)37/h2-5,9-12,14-17H,6-8,13,18-24H2,1H3,(H,33,38)(H,36,37)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against prostatic 5-alpha reductase in Sprague-Dawley rat				Bioorg Med Chem Lett 8: 2967-72 (1998) BindingDB Entry DOI: 10.7270/Q2K35WVS
					More data for this Ligand-Target Pair