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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 = 'BDBM50173596'   
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))
BDBM50173596
PNG
(CHEMBL3809608)
Show SMILES CC(C)(C)C(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H28N6O3/c1-21(2,3)16-12-18(28-31-16)25-20(30)23-14-9-7-13(8-10-14)15-11-17(27-26-15)24-19(29)22(4,5)6/h7-12H,1-6H3,(H2,23,25,28,30)(H2,24,26,27,29)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/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))
BDBM50173596
PNG
(CHEMBL3809608)
Show SMILES CC(C)(C)C(=O)Nc1cc([nH]n1)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H28N6O3/c1-21(2,3)16-12-18(28-31-16)25-20(30)23-14-9-7-13(8-10-14)15-11-17(27-26-15)24-19(29)22(4,5)6/h7-12H,1-6H3,(H2,23,25,28,30)(H2,24,26,27,29)
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 390n/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