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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 = 'BDBM50028965'   
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))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50028965
PNG
(CHEMBL3360279)
Show SMILES CC(C)c1nc2CC(C)(C)C[C@H](O)c2c2c1[C@H](OC21CCOCC1)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C27H32F3NO3/c1-15(2)23-21-22(20-18(31-23)13-25(3,4)14-19(20)32)26(9-11-33-12-10-26)34-24(21)16-5-7-17(8-6-16)27(28,29)30/h5-8,15,19,24,32H,9-14H2,1-4H3/t19-,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 151n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP in presence of 88% human plasma by fluorescence transfer assay


J Med Chem 57: 8766-76 (2014)


Article DOI: 10.1021/jm500431d
BindingDB Entry DOI: 10.7270/Q2HT2QX3
More data for this
Ligand-Target Pair