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SMILES: Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1)C#N

InChI Key: InChIKey=WGSWUENERFQGQG-UHFFFAOYSA-N

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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 2 hits for monomerid = 50334825   
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))
BDBM50334825
PNG
(2-(4-(3-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)
Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1)C#N
Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-19(16-29)14-24-26(18)35-27(31-24)20-5-7-22(8-6-20)30-25(34)17-32-9-11-33(12-10-32)23-4-2-3-21(28)15-23/h2-8,13-15H,9-12,17H2,1H3,(H,30,34)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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))
BDBM50334825
PNG
(2-(4-(3-chlorophenyl)piperazin-1-yl)-N-(4-(5-cyano...)
Show SMILES Cc1cc(cc2nc(oc12)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1)C#N
Show InChI InChI=1S/C27H24ClN5O2/c1-18-13-19(16-29)14-24-26(18)35-27(31-24)20-5-7-22(8-6-20)30-25(34)17-32-9-11-33(12-10-32)23-4-2-3-21(28)15-23/h2-8,13-15H,9-12,17H2,1H3,(H,30,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 19n/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