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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 = 'BDBM50376660'   
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))
BDBM50376660
PNG
(CHEMBL261273)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O5/c1-14-4-2-3-5-19(14)29-13-21(26)23-16-8-6-15(7-9-16)22-24-18-12-17(25(27)28)10-11-20(18)30-22/h2-12H,13H2,1H3,(H,23,26)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/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))
BDBM50376660
PNG
(CHEMBL261273)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2o1)[N+]([O-])=O
Show InChI InChI=1S/C22H17N3O5/c1-14-4-2-3-5-19(14)29-13-21(26)23-16-8-6-15(7-9-16)22-24-18-12-17(25(27)28)10-11-20(18)30-22/h2-12H,13H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80E+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