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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 = 'BDBM50516408'   
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))
BDBM50516408
PNG
(CHEMBL4468692)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H28F12N2O3/c1-16(2)46-23-12-18(8-9-22(23)32)26(14-17-6-4-3-5-7-17,44-15-24(43)27(45,29(37,38)39)30(40,41)42)19-10-20(31)13-21(11-19)47-28(35,36)25(33)34/h3-13,16,24-25,44-45H,14-15,43H2,1-2H3/t24?,26-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
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n/an/a 26n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]CE/HDL transfer incubated for 4 hrs by scintillation proximity assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50516408
PNG
(CHEMBL4468692)
Show SMILES CC(C)Oc1cc(ccc1F)[C@@](Cc1ccccc1)(NCC(N)C(O)(C(F)(F)F)C(F)(F)F)c1cc(F)cc(OC(F)(F)C(F)F)c1 |r|
Show InChI InChI=1S/C30H28F12N2O3/c1-16(2)46-23-12-18(8-9-22(23)32)26(14-17-6-4-3-5-7-17,44-15-24(43)27(45,29(37,38)39)30(40,41)42)19-10-20(31)13-21(11-19)47-28(35,36)25(33)34/h3-13,16,24-25,44-45H,14-15,43H2,1-2H3/t24?,26-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]-CE/HDL transfer incubated for 2.5 hrs by topcount scintillation counting assay


ACS Med Chem Lett 10: 911-916 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00086
BindingDB Entry DOI: 10.7270/Q2TX3JQJ
More data for this
Ligand-Target Pair