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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50048036   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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KEGG
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PC sid
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Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by mobility shift/LanthaScreen assay


Bioorg Med Chem 24: 6166-6173 (2016)


Article DOI: 10.1016/j.bmc.2016.09.021
BindingDB Entry DOI: 10.7270/Q2XD13PQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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Article
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n/an/a 170n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by mobility shift/LanthaScreen assay


Bioorg Med Chem 24: 6166-6173 (2016)


Article DOI: 10.1016/j.bmc.2016.09.021
BindingDB Entry DOI: 10.7270/Q2XD13PQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201767
PNG
(CHEMBL3890887)
Show SMILES CCc1ccc(cc1)-c1cc(ncn1)C(=O)Nc1ccc(Oc2ccnc(c2)C(=O)NC)c(F)c1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by mobility shift/LanthaScreen assay


Bioorg Med Chem 24: 6166-6173 (2016)


Article DOI: 10.1016/j.bmc.2016.09.021
BindingDB Entry DOI: 10.7270/Q2XD13PQ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50201766
PNG
(CHEMBL3931691)
Show SMILES CCc1ccc(cc1)-c1cc(ncn1)C(=O)Nc1ccc(Oc2ccnc(c2)C(=O)NC)cc1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Jiangxi Science& Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) by mobility shift/LanthaScreen assay


Bioorg Med Chem 24: 6166-6173 (2016)


Article DOI: 10.1016/j.bmc.2016.09.021
BindingDB Entry DOI: 10.7270/Q2XD13PQ
More data for this
Ligand-Target Pair