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BDBM50376717 CHEMBL409693

SMILES: Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(C)c3CCCc23)cc1

InChI Key: InChIKey=FUOUVOAVLJXZTC-UHFFFAOYSA-N

Data: 2 IC50

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 = 50376717   
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))
BDBM50376717
PNG
(CHEMBL409693)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(C)c3CCCc23)cc1
Show InChI InChI=1S/C27H26N2O3/c1-16-13-18(3)26-23(14-16)29-27(32-26)19-8-10-20(11-9-19)28-25(30)15-31-24-12-7-17(2)21-5-4-6-22(21)24/h7-14H,4-6,15H2,1-3H3,(H,28,30)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CETP in human whole plasma


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376717
PNG
(CHEMBL409693)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1ccc(NC(=O)COc2ccc(C)c3CCCc23)cc1
Show InChI InChI=1S/C27H26N2O3/c1-16-13-18(3)26-23(14-16)29-27(32-26)19-8-10-20(11-9-19)28-25(30)15-31-24-12-7-17(2)21-5-4-6-22(21)24/h7-14H,4-6,15H2,1-3H3,(H,28,30)
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 85n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human CETP by scintillation proximity assay


Bioorg Med Chem Lett 18: 2640-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.030
BindingDB Entry DOI: 10.7270/Q2V40W3V
More data for this
Ligand-Target Pair