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BDBM50331755 CHEMBL1288517::methyl 3,5-bis(trifluoromethyl)benzyl((4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl)methyl)carbamate

SMILES: COC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F

InChI Key: InChIKey=FGKHLSWPVWXFAR-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50331755   
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))
BDBM50331755
PNG
(CHEMBL1288517 | methyl 3,5-bis(trifluoromethyl)ben...)
Show SMILES COC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F
Show InChI InChI=1S/C29H25F10NO3/c1-15(2)22-11-23(25(42-3)12-24(22)30)21-6-5-18(27(31,32)33)9-17(21)14-40(26(41)43-4)13-16-7-19(28(34,35)36)10-20(8-16)29(37,38)39/h5-12,15H,13-14H2,1-4H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer activity after 1 hr by fluorescent cholesteryl esters transfer assay


J Med Chem 54: 4880-95 (2011)


Article DOI: 10.1021/jm200484c
BindingDB Entry DOI: 10.7270/Q2NG4QZ3
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50331755
PNG
(CHEMBL1288517 | methyl 3,5-bis(trifluoromethyl)ben...)
Show SMILES COC(=O)N(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cc1cc(ccc1-c1cc(C(C)C)c(F)cc1OC)C(F)(F)F
Show InChI InChI=1S/C29H25F10NO3/c1-15(2)22-11-23(25(42-3)12-24(22)30)21-6-5-18(27(31,32)33)9-17(21)14-40(26(41)43-4)13-16-7-19(28(34,35)36)10-20(8-16)29(37,38)39/h5-12,15H,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 117n/an/an/an/an/an/a



Merck Sharp& Dohme Corp.

Curated by ChEMBL


Assay Description
Inhibition of CETP-mediated neutral lipid transfer by fluorometric analysis


Bioorg Med Chem Lett 20: 7469-72 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.019
BindingDB Entry DOI: 10.7270/Q2FF3SMV
More data for this
Ligand-Target Pair