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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 = 'BDBM50376721'   
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))
BDBM50376721
PNG
(CHEMBL408221)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(Cl)c2o1)C#N
Show InChI InChI=1S/C23H16ClN3O3/c1-14-4-2-3-5-20(14)29-13-21(28)26-17-8-6-16(7-9-17)23-27-19-11-15(12-25)10-18(24)22(19)30-23/h2-11H,13H2,1H3,(H,26,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376721
PNG
(CHEMBL408221)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(cc(Cl)c2o1)C#N
Show InChI InChI=1S/C23H16ClN3O3/c1-14-4-2-3-5-20(14)29-13-21(28)26-17-8-6-16(7-9-17)23-27-19-11-15(12-25)10-18(24)22(19)30-23/h2-11H,13H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair