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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 = 'BDBM50392517'   
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))
BDBM50392517
PNG
(CHEMBL2152170)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CC(F)(F)C1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C26H21ClF7N3O2/c27-17-6-7-21(35-14-17)25(11-15-4-2-1-3-5-15,37-23(38)36-19-12-24(31,32)13-19)16-8-18(28)10-20(9-16)39-26(33,34)22(29)30/h1-10,14,19,22H,11-13H2,(H2,36,37,38)/t25-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP using [3H]cholesterol ester/HDL as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50392517
PNG
(CHEMBL2152170)
Show SMILES FC(F)C(F)(F)Oc1cc(F)cc(c1)[C@](Cc1ccccc1)(NC(=O)NC1CC(F)(F)C1)c1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C26H21ClF7N3O2/c27-17-6-7-21(35-14-17)25(11-15-4-2-1-3-5-15,37-23(38)36-19-12-24(31,32)13-19)16-8-18(28)10-20(9-16)39-26(33,34)22(29)30/h1-10,14,19,22H,11-13H2,(H2,36,37,38)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 180n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma using [3H]cholesterol ester/HDL as substrate after 10 mins by scintillation counting


Bioorg Med Chem Lett 22: 6503-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.011
BindingDB Entry DOI: 10.7270/Q2XP761G
More data for this
Ligand-Target Pair