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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 = 'BDBM50155150'   
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))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) with DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50155150
PNG
(5-Cyclopropyl-4-[4-(2-diethylamino-ethyl)-3,5-dime...)
Show SMILES CCN(CC)CCc1c(C)[nH]c(C=c2c(=O)[nH][nH]c2=C2CC2)c1C |w:12.11,(6.74,1.52,;6.25,2.98,;4.76,3.31,;4.27,4.76,;2.76,5.08,;3.73,2.15,;2.22,2.47,;1.2,1.32,;1.68,-.12,;3.14,-.61,;.44,-1.03,;-.82,-.15,;-2.28,-.63,;-2.59,-2.12,;-1.56,-3.28,;-.02,-3.11,;-2.33,-4.61,;-3.84,-4.29,;-4.01,-2.76,;-5.34,-1.99,;-6.11,-.68,;-6.88,-2.01,;-.34,1.32,;-1.24,2.57,)|
Show InChI InChI=1S/C19H28N4O/c1-5-23(6-2)10-9-15-12(3)17(20-13(15)4)11-16-18(14-7-8-14)21-22-19(16)24/h11,20-21H,5-10H2,1-4H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2(KDR) without DTT(dithiothreitol)


Bioorg Med Chem Lett 14: 5503-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.007
BindingDB Entry DOI: 10.7270/Q2NK3DJN
More data for this
Ligand-Target Pair