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BDBM50250363 CHEMBL4070653

SMILES: CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(OC)cn1

InChI Key: InChIKey=VTJAFKRPZRZHRW-PVHODMMVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250363   
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))
BDBM50250363
PNG
(CHEMBL4070653)
Show SMILES CC[C@@H]1C[C@@H](C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(OC)cn1 |r|
Show InChI InChI=1S/C33H38F6N4O3/c1-6-25-16-26(17-27(14-21-10-8-7-9-11-21)43(25)30(44)46-31(2,3)4)42(29-40-18-28(45-5)19-41-29)20-22-12-23(32(34,35)36)15-24(13-22)33(37,38)39/h7-13,15,18-19,25-27H,6,14,16-17,20H2,1-5H3/t25-,26+,27+/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CETP in human plasma measured every 30 mins for 120 mins by fluorescence method


J Med Chem 60: 8466-8481 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00900
BindingDB Entry DOI: 10.7270/Q27083WQ
More data for this
Ligand-Target Pair