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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 = 'BDBM50173595'   
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))
BDBM50173595
PNG
(CHEMBL3808619)
Show SMILES CC(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N6O3/c1-11(26)20-16-9-14(23-24-16)12-5-7-13(8-6-12)21-18(27)22-17-10-15(28-25-17)19(2,3)4/h5-10H,1-4H3,(H2,20,23,24,26)(H2,21,22,25,27)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin)


ACS Med Chem Lett 7: 363-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00486
BindingDB Entry DOI: 10.7270/Q24J0H11
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50173595
PNG
(CHEMBL3808619)
Show SMILES CC(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C19H22N6O3/c1-11(26)20-16-9-14(23-24-16)12-5-7-13(8-6-12)21-18(27)22-17-10-15(28-25-17)19(2,3)4/h5-10H,1-4H3,(H2,20,23,24,26)(H2,21,22,25,27)
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 24n/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


ACS Med Chem Lett 7: 363-7 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00486
BindingDB Entry DOI: 10.7270/Q24J0H11
More data for this
Ligand-Target Pair