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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 Ligand = 'BDBM50207487'   
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


(Homo sapiens (Human))
BDBM50207487
PNG
(1-(4-(3-amino-7-(2-morpholinoethoxy)-1H-indazol-4-...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C27H30N6O3/c1-18-3-2-4-21(17-18)30-27(34)29-20-7-5-19(6-8-20)22-9-10-23(25-24(22)26(28)32-31-25)36-16-13-33-11-14-35-15-12-33/h2-10,17H,11-16H2,1H3,(H3,28,31,32)(H2,29,30,34)
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PC cid
PC sid
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50207487
PNG
(1-(4-(3-amino-7-(2-morpholinoethoxy)-1H-indazol-4-...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2ccc(OCCN3CCOCC3)c3[nH]nc(N)c23)c1
Show InChI InChI=1S/C27H30N6O3/c1-18-3-2-4-21(17-18)30-27(34)29-20-7-5-19(6-8-20)22-9-10-23(25-24(22)26(28)32-31-25)36-16-13-33-11-14-35-15-12-33/h2-10,17H,11-16H2,1H3,(H3,28,31,32)(H2,29,30,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair