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PubMed code 23025996

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50394210
PNG
(CHEMBL2159053)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 22: 6596-601 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.004
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50394210
PNG
(CHEMBL2159053)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 22: 6596-601 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.004
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50394210
PNG
(CHEMBL2159053)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A kinase using PLK as substrate incubated for 15 mins prior to substrate addition measured after 60 mins by im...


Bioorg Med Chem Lett 22: 6596-601 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.004
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50394210
PNG
(CHEMBL2159053)
Show SMILES COc1ccc(cc1)C1=NN(C(C1)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1O |t:9|
Show InChI InChI=1S/C23H18Cl2N2O3/c1-30-18-9-4-14(5-10-18)20-13-21(15-2-6-16(24)7-3-15)27(26-20)23(29)19-11-8-17(25)12-22(19)28/h2-12,21,28H,13H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 using gastrin as substrate after 60 mins by immunofluorescence method


Bioorg Med Chem Lett 22: 6596-601 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.004
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%