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BDBM50337186 4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(5-m-tolylpyridin-2-yl)piperidin-4-yl)methyl)benzamide::CHEMBL1684863

SMILES: CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1cccc(C)c1)C#N

InChI Key: InChIKey=SBRJMGVDMGKNPW-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50337186   
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))
BDBM50337186
PNG
(4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)-N-((1-(...)
Show SMILES CC(C)c1cc(cc2nc(oc12)-c1ccc(cc1)C(=O)NCC1CCN(CC1)c1ccc(cn1)-c1cccc(C)c1)C#N
Show InChI InChI=1S/C36H35N5O2/c1-23(2)31-18-26(20-37)19-32-34(31)43-36(40-32)28-9-7-27(8-10-28)35(42)39-21-25-13-15-41(16-14-25)33-12-11-30(22-38-33)29-6-4-5-24(3)17-29/h4-12,17-19,22-23,25H,13-16,21H2,1-3H3,(H,39,42)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CETP


Bioorg Med Chem Lett 21: 1890-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.090
BindingDB Entry DOI: 10.7270/Q2NG4QW6
More data for this
Ligand-Target Pair