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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 = 'BDBM138248'   
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))
BDBM138248
PNG
(US8871738, 31)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(Cl)cc(Cl)c1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C29H25Cl2F4NO3/c1-14(2)20-12-22(26(38-3)13-23(20)32)19-5-4-16(29(33,34)35)10-21(19)24-6-7-25-27(39-28(37)36(24)25)15-8-17(30)11-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant CETP (unknown origin) assessed as inhibition of transfer of [3H]cholesteryl oleate or [3H]triolein between exogenous [3H]LD...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00959
BindingDB Entry DOI: 10.7270/Q27M0CSV
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM138248
PNG
(US8871738, 31)
Show SMILES COc1cc(F)c(cc1-c1ccc(cc1[C@@H]1CC[C@H]2[C@H](OC(=O)N12)c1cc(Cl)cc(Cl)c1)C(F)(F)F)C(C)C |r|
Show InChI InChI=1S/C29H25Cl2F4NO3/c1-14(2)20-12-22(26(38-3)13-23(20)32)19-5-4-16(29(33,34)35)10-21(19)24-6-7-25-27(39-28(37)36(24)25)15-8-17(30)11-18(31)9-15/h4-5,8-14,24-25,27H,6-7H2,1-3H3/t24-,25-,27+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 213n/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
First, low density lipoprotein (LDL) (Meridian) was biotinylated by incubating LDL with biotin for 1 hour on ice, after which it was dialyzed to remo...


US Patent US8871738 (2014)


BindingDB Entry DOI: 10.7270/Q2S75F1W
More data for this
Ligand-Target Pair