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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 = 'BDBM50201375'   
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))
BDBM50201375
PNG
(CHEMBL240643 | N-(4-isopropylphenyl)-1-methyl-4-(p...)
Show SMILES CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1
Show InChI InChI=1S/C20H23N5O/c1-14(2)16-4-6-17(7-5-16)24-20(26)19-18(13-23-25(19)3)22-12-15-8-10-21-11-9-15/h4-11,13-14,22H,12H2,1-3H3,(H,24,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by cell-based assay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201375
PNG
(CHEMBL240643 | N-(4-isopropylphenyl)-1-methyl-4-(p...)
Show SMILES CC(C)c1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1
Show InChI InChI=1S/C20H23N5O/c1-14(2)16-4-6-17(7-5-16)24-20(26)19-18(13-23-25(19)3)22-12-15-8-10-21-11-9-15/h4-11,13-14,22H,12H2,1-3H3,(H,24,26)
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 440n/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by HTRF assay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair