BindingDB logo
myBDB logout

null

SMILES: COc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1

InChI Key: InChIKey=PZEOZJSBNWHPGV-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50334822   
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))
BDBM50334822
PNG
(CHEMBL1641618 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)
Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1
Show InChI InChI=1S/C28H27N5O3/c1-19-14-20(17-29)15-25-27(19)36-28(31-25)21-6-8-22(9-7-21)30-26(34)18-32-10-12-33(13-11-32)23-4-3-5-24(16-23)35-2/h3-9,14-16H,10-13,18H2,1-2H3,(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 123n/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))
BDBM50334822
PNG
(CHEMBL1641618 | N-(4-(5-cyano-7-methylbenzo[d]oxaz...)
Show SMILES COc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2nc3cc(cc(C)c3o2)C#N)CC1
Show InChI InChI=1S/C28H27N5O3/c1-19-14-20(17-29)15-25-27(19)36-28(31-25)21-6-8-22(9-7-21)30-26(34)18-32-10-12-33(13-11-32)23-4-3-5-24(16-23)35-2/h3-9,14-16H,10-13,18H2,1-2H3,(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 58n/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