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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 = 'BDBM50376715'   
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))
BDBM50376715
PNG
(CHEMBL264963)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1
Show InChI InChI=1S/C25H23ClN2O3/c1-14-11-15(2)24-21(12-14)28-25(31-24)18-5-7-19(8-6-18)27-23(29)13-30-22-10-9-20(26)16(3)17(22)4/h5-12H,13H2,1-4H3,(H,27,29)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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))
BDBM50376715
PNG
(CHEMBL264963)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Cl)c(C)c2C)cc1
Show InChI InChI=1S/C25H23ClN2O3/c1-14-11-15(2)24-21(12-14)28-25(31-24)18-5-7-19(8-6-18)27-23(29)13-30-22-10-9-20(26)16(3)17(22)4/h5-12H,13H2,1-4H3,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+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