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BDBM50215474 CHEMBL41413

SMILES: CCCOc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1

InChI Key: InChIKey=GQRVTXAKOXTRMC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50215474   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50215474
PNG
(CHEMBL41413)
Show SMILES CCCOc1ccccc1N1CCN(CCCOc2cc(ccc2OCc2ccc(C)cc2)C(=O)c2cn(CCCC(O)=O)c3ccccc23)CC1
Show InChI InChI=1S/C43H49N3O6/c1-3-27-50-39-13-7-6-12-38(39)45-25-23-44(24-26-45)21-9-28-51-41-29-34(19-20-40(41)52-31-33-17-15-32(2)16-18-33)43(49)36-30-46(22-8-14-42(47)48)37-11-5-4-10-35(36)37/h4-7,10-13,15-20,29-30H,3,8-9,14,21-28,31H2,1-2H3,(H,47,48)
MMDB

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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/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)


Article DOI: 10.1016/s0960-894x(99)00230-9
BindingDB Entry DOI: 10.7270/Q2DB841X
More data for this
Ligand-Target Pair