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BDBM50376725 CHEMBL260201

SMILES: Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc(Br)c2o1

InChI Key: InChIKey=CXHMRQHUXOJFOQ-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 = 50376725   
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))
BDBM50376725
PNG
(CHEMBL260201)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc(Br)c2o1
Show InChI InChI=1S/C22H16BrClN2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(24)10-17(23)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 97n/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
Cholesteryl ester transfer protein


(Homo sapiens (Human))
BDBM50376725
PNG
(CHEMBL260201)
Show SMILES Cc1ccccc1OCC(=O)Nc1ccc(cc1)-c1nc2cc(Cl)cc(Br)c2o1
Show InChI InChI=1S/C22H16BrClN2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(24)10-17(23)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
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 2.60E+4n/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