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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 = 'BDBM50376677'   
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))
BDBM50376677
PNG
(CHEMBL405800)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)cc1
Show InChI InChI=1S/C24H22N2O3/c1-15-4-10-20(11-5-15)28-14-22(27)25-19-8-6-18(7-9-19)24-26-21-13-16(2)12-17(3)23(21)29-24/h4-13H,14H2,1-3H3,(H,25,27)
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PC cid
PC sid
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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))
BDBM50376677
PNG
(CHEMBL405800)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(cc2)-c2nc3cc(C)cc(C)c3o2)cc1
Show InChI InChI=1S/C24H22N2O3/c1-15-4-10-20(11-5-15)28-14-22(27)25-19-8-6-18(7-9-19)24-26-21-13-16(2)12-17(3)23(21)29-24/h4-13H,14H2,1-3H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60E+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