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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)' and Ligand = 'BDBM4877'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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MMDB

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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
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))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair