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SMILES: CCOC(=O)c1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1

InChI Key: InChIKey=PKQUGTKFTGGHAL-UHFFFAOYSA-N

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

Found 2 hits for monomerid = 50334832   
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))
BDBM50334832
PNG
(CHEMBL1643164 | ethyl 4-(4-(2-(4-(5-cyano-7-methyl...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1
Show InChI InChI=1S/C30H29N5O4/c1-3-38-30(37)23-6-10-25(11-7-23)35-14-12-34(13-15-35)19-27(36)32-24-8-4-22(5-9-24)29-33-26-17-21(18-31)16-20(2)28(26)39-29/h4-11,16-17H,3,12-15,19H2,1-2H3,(H,32,36)
PDB
MMDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated triglyceride transfer by fluorescence-based assay


Bioorg Med Chem Lett 21: 558-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50334832
PNG
(CHEMBL1643164 | ethyl 4-(4-(2-(4-(5-cyano-7-methyl...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1
Show InChI InChI=1S/C30H29N5O4/c1-3-38-30(37)23-6-10-25(11-7-23)35-14-12-34(13-15-35)19-27(36)32-24-8-4-22(5-9-24)29-33-26-17-21(18-31)16-20(2)28(26)39-29/h4-11,16-17H,3,12-15,19H2,1-2H3,(H,32,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CETP-mediated cholesteryl ester transfer by fluorescence-based assay


Bioorg Med Chem Lett 21: 558-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.062
BindingDB Entry DOI: 10.7270/Q2XK8FT1
More data for this
Ligand-Target Pair