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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50334826'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50334826
PNG
(2-(4-(4-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)
Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1)C#N
Show InChI InChI=1S/C27H24ClN5O2/c1-18-14-19(16-29)15-24-26(18)35-27(31-24)20-2-6-22(7-3-20)30-25(34)17-32-10-12-33(13-11-32)23-8-4-21(28)5-9-23/h2-9,14-15H,10-13,17H2,1H3,(H,30,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay


Bioorg Med Chem Lett 21: 558-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50334826
PNG
(2-(4-(4-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)
Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1)C#N
Show InChI InChI=1S/C27H24ClN5O2/c1-18-14-19(16-29)15-24-26(18)35-27(31-24)20-2-6-22(7-3-20)30-25(34)17-32-10-12-33(13-11-32)23-8-4-21(28)5-9-23/h2-9,14-15H,10-13,17H2,1H3,(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay


Bioorg Med Chem Lett 21: 558-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1
More data for this
Ligand-Target Pair