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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 = 'BDBM50376657'   
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))
BDBM50376657
PNG
(CHEMBL410916)
Show SMILES CC(=O)c1cc(C)cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C25H22N2O4/c1-15-12-20(17(3)28)24-21(13-15)27-25(31-24)18-8-10-19(11-9-18)26-23(29)14-30-22-7-5-4-6-16(22)2/h4-13H,14H2,1-3H3,(H,26,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 240n/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))
BDBM50376657
PNG
(CHEMBL410916)
Show SMILES CC(=O)c1cc(C)cc2nc(oc12)-c1ccc(NC(=O)COc2ccccc2C)cc1
Show InChI InChI=1S/C25H22N2O4/c1-15-12-20(17(3)28)24-21(13-15)27-25(31-24)18-8-10-19(11-9-18)26-23(29)14-30-22-7-5-4-6-16(22)2/h4-13H,14H2,1-3H3,(H,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.70E+4n/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