BDBM50215480 CHEMBL289613

SMILES: COc1ccccc1N1CCN(CCCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1

InChI Key: InChIKey=JJRGSYIIOKDBJX-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 = 50215480   

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)	BDBM50215480 (CHEMBL289613) Show SMILES COc1ccccc1N1CCN(CCCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1 Show InChI InChI=1S/C42H47N3O6/c1-31-15-17-32(18-16-31)30-51-39-20-19-33(42(48)35-29-45(22-9-14-41(46)47)36-11-4-3-10-34(35)36)28-40(39)50-27-8-7-21-43-23-25-44(26-24-43)37-12-5-6-13-38(37)49-2/h3-6,10-13,15-20,28-29H,7-9,14,21-27,30H2,1-2H3,(H,46,47)	MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of Steroid 5-alpha-reductase from Dawley rat prostate				Bioorg Med Chem Lett 9: 1553-8 (1999) BindingDB Entry DOI: 10.7270/Q2DB841X
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