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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cholesteryl ester transfer protein' and Ligand = 'BDBM50250371'   
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))
BDBM50250371
PNG
(CHEMBL4064793)
Show SMILES CC[C@H]1C[C@H](C[C@@H](CC)N1C(=O)OC(C)C)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ncc(cn1)N1CCOCC1 |r|
Show InChI InChI=1S/C30H39F6N5O3/c1-5-23-14-25(15-24(6-2)41(23)28(42)44-19(3)4)40(27-37-16-26(17-38-27)39-7-9-43-10-8-39)18-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h11-13,16-17,19,23-25H,5-10,14-15,18H2,1-4H3/t23-,24+,25+
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MMDB

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Article
PubMed
n/an/a 60n/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