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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 = 'BDBM50376697'   
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))
BDBM50376697
PNG
(CHEMBL262868)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c(C)c1
Show InChI InChI=1S/C25H24N2O3/c1-15-5-10-22(17(3)11-15)29-14-23(28)26-20-8-6-19(7-9-20)25-27-21-13-16(2)12-18(4)24(21)30-25/h5-13H,14H2,1-4H3,(H,26,28)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 140n/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))
BDBM50376697
PNG
(CHEMBL262868)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)c(C)c1
Show InChI InChI=1S/C25H24N2O3/c1-15-5-10-22(17(3)11-15)29-14-23(28)26-20-8-6-19(7-9-20)25-27-21-13-16(2)12-18(4)24(21)30-25/h5-13H,14H2,1-4H3,(H,26,28)
PDB
MMDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+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