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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)' and Ligand = 'BDBM50362987'   
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))
BDBM50362987
PNG
(CHEMBL1945499)
Show SMILES CC(C)c1ccc(CCCN(C)C)cc1Nc1ncc2CC(=S)Nc3cc(Cl)ccc3-c2n1
Show InChI InChI=1S/C26H30ClN5S/c1-16(2)20-9-7-17(6-5-11-32(3)4)12-22(20)30-26-28-15-18-13-24(33)29-23-14-19(27)8-10-21(23)25(18)31-26/h7-10,12,14-16H,5-6,11,13H2,1-4H3,(H,29,33)(H,28,30,31)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 55: 197-208 (2012)


Article DOI: 10.1021/jm2011172
BindingDB Entry DOI: 10.7270/Q21C1XBR
More data for this
Ligand-Target Pair