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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50270438'   
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))
BDBM50270438
PNG
(CHEMBL3747273)
Show SMILES CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1
Show InChI InChI=1S/C21H20N6O3/c1-12(2)18-8-19(26-30-18)25-21(28)27-6-5-13-7-14(3-4-17(13)27)29-20-15-9-22-10-16(15)23-11-24-20/h3-8,11-12,22H,9-10H2,1-2H3,(H,25,26,28)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of Tel-fused KDR (unknown origin) expressed in mouse BaF3 cells using poly(Glu,Tyr) as substrate after 10 mins by scintillation counting a...


J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50270438
PNG
(CHEMBL3747273)
Show SMILES CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1
Show InChI InChI=1S/C21H20N6O3/c1-12(2)18-8-19(26-30-18)25-21(28)27-6-5-13-7-14(3-4-17(13)27)29-20-15-9-22-10-16(15)23-11-24-20/h3-8,11-12,22H,9-10H2,1-2H3,(H,25,26,28)
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse Ba/F3 cells


J Med Chem 61: 1622-1635 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01731
BindingDB Entry DOI: 10.7270/Q22F7QZM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50270438
PNG
(CHEMBL3747273)
Show SMILES CC(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)no1
Show InChI InChI=1S/C21H20N6O3/c1-12(2)18-8-19(26-30-18)25-21(28)27-6-5-13-7-14(3-4-17(13)27)29-20-15-9-22-10-16(15)23-11-24-20/h3-8,11-12,22H,9-10H2,1-2H3,(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


J Med Chem 58: 9273-86 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01227
BindingDB Entry DOI: 10.7270/Q26M39T9
More data for this
Ligand-Target Pair