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BDBM50178619 CHEMBL3814419

SMILES: Fc1cc(cc(c1)[C@](Cc1ccccc1)(NCC(=O)CC(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F

InChI Key: InChIKey=RBBUDHKIYUMXDH-QFIPXVFZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50178619   
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))
BDBM50178619
PNG
(CHEMBL3814419)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NCC(=O)CC(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,34H,11-12,14H2/t22-/m0/s1
PDB
MMDB

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PC sid
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Similars

PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to LDL/VLDL


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50178619
PNG
(CHEMBL3814419)
Show SMILES Fc1cc(cc(c1)[C@](Cc1ccccc1)(NCC(=O)CC(F)(F)F)c1ccc(Cl)cn1)C(F)(F)F |r|
Show InChI InChI=1S/C24H18ClF7N2O/c25-18-6-7-21(33-13-18)22(11-15-4-2-1-3-5-15,34-14-20(35)12-23(27,28)29)16-8-17(24(30,31)32)10-19(26)9-16/h1-10,13,34H,11-12,14H2/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

PubMed
n/an/a 641n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP assessed as reduction in [3H]cholesteryl ester transfer from [3H]CE-HDL to biotinylated LDL by scintillation pro...


Bioorg Med Chem Lett 26: 3278-3281 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ63FN
More data for this
Ligand-Target Pair