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BDBM50394954 CHEMBL2165685

SMILES: COC(=O)C[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1

InChI Key: InChIKey=IQXIXSQFLDQZNF-NRFANRHFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394954   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50394954
PNG
(CHEMBL2165685)
Show SMILES COC(=O)C[C@](NC(=O)NC1CCCC1)(c1cc(F)cc(c1)C(F)(F)F)c1ccc(Cl)cn1
Show InChI InChI=1S/C22H22ClF4N3O3/c1-33-19(31)11-21(18-7-6-15(23)12-28-18,30-20(32)29-17-4-2-3-5-17)13-8-14(22(25,26)27)10-16(24)9-13/h6-10,12,17H,2-5,11H2,1H3,(H2,29,30,32)/t21-/m0/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated [3H]cholesteryl ester transfer from HDL to biotinylated LDL by scintillation proximity assay


J Med Chem 55: 6162-75 (2012)


Article DOI: 10.1021/jm300611v
BindingDB Entry DOI: 10.7270/Q2KH0PF5
More data for this
Ligand-Target Pair