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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 = 'BDBM50173598'   
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))
BDBM50173598
PNG
(CHEMBL3808728)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)on2)no1
Show InChI InChI=1S/C21H23N5O4/c1-21(2,3)16-11-17(26-29-16)23-20(28)22-14-8-6-12(7-9-14)15-10-18(30-25-15)24-19(27)13-4-5-13/h6-11,13H,4-5H2,1-3H3,(H,24,27)(H2,22,23,26,28)
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30E+3n/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))
BDBM50173598
PNG
(CHEMBL3808728)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cc(NC(=O)C3CC3)on2)no1
Show InChI InChI=1S/C21H23N5O4/c1-21(2,3)16-11-17(26-29-16)23-20(28)22-14-8-6-12(7-9-14)15-10-18(30-25-15)24-19(27)13-4-5-13/h6-11,13H,4-5H2,1-3H3,(H,24,27)(H2,22,23,26,28)
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 1.00E+4n/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