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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 = 'BDBM50376694'   
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))
BDBM50376694
PNG
(CHEMBL261062)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
Show InChI InChI=1S/C24H21BrN2O3/c1-14-10-16(3)23-20(11-14)27-24(30-23)17-4-7-19(8-5-17)26-22(28)13-29-21-9-6-18(25)12-15(21)2/h4-12H,13H2,1-3H3,(H,26,28)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/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))
BDBM50376694
PNG
(CHEMBL261062)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
Show InChI InChI=1S/C24H21BrN2O3/c1-14-10-16(3)23-20(11-14)27-24(30-23)17-4-7-19(8-5-17)26-22(28)13-29-21-9-6-18(25)12-15(21)2/h4-12H,13H2,1-3H3,(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 3.20E+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