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BDBM50239384 CHEMBL4063749

SMILES: ON(C=O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1

InChI Key: InChIKey=IIQICFFMXDTZPU-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50239384   
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
Bile salt export pump


(Homo sapiens (Human))
BDBM50239384
PNG
(CHEMBL4063749)
Show SMILES ON(C=O)C(CCCc1ncccn1)CS(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H26FN5O4S/c21-17-5-7-18(8-6-17)24-11-13-25(14-12-24)31(29,30)15-19(26(28)16-27)3-1-4-20-22-9-2-10-23-20/h2,5-10,16,19,28H,1,3-4,11-15H2
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PC sid
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Similars

Article
PubMed
n/an/a<1.64E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (COR) in rats


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair