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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 Ligand = 'BDBM50270434'   
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))
BDBM50270434
PNG
(CHEMBL4079937)
Show SMILES CNCc1cc(Oc2ccc3n(ccc3c2)C(=O)Nc2cc(on2)C(C)C)ncn1
Show InChI InChI=1S/C21H22N6O3/c1-13(2)18-10-19(26-30-18)25-21(28)27-7-6-14-8-16(4-5-17(14)27)29-20-9-15(11-22-3)23-12-24-20/h4-10,12-13,22H,11H2,1-3H3,(H,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/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