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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'tokala' and Initial = 'r'   
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
Topoisomerase I


(Bos taurus)
BDBM50450080
PNG
(CHEMBL4176420)
Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2cccc(O)c2)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H23N3O3/c1-34-22-12-10-19(11-13-22)27-28-24(23-7-2-3-8-25(23)31-28)16-20(30-27)17-29-26(33)14-9-18-5-4-6-21(32)15-18/h2-16,31-32H,17H2,1H3,(H,29,33)/b14-9+
PDB

UniProtKB/TrEMBL

GoogleScholar
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n/an/a 14n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method


Bioorg Med Chem 26: 4916-4929 (2018)


Article DOI: 10.1016/j.bmc.2018.08.031
BindingDB Entry DOI: 10.7270/Q2FJ2KBF
More data for this
Ligand-Target Pair
Topoisomerase I


(Bos taurus)
BDBM50450081
PNG
(CHEMBL4159820)
Show SMILES COc1ccc(cc1)-c1nc(CNC(=O)\C=C\c2ccc(Cl)cc2)cc2c3ccccc3[nH]c12
Show InChI InChI=1S/C28H22ClN3O2/c1-34-22-13-9-19(10-14-22)27-28-24(23-4-2-3-5-25(23)32-28)16-21(31-27)17-30-26(33)15-8-18-6-11-20(29)12-7-18/h2-16,32H,17H2,1H3,(H,30,33)/b15-8+
PDB

UniProtKB/TrEMBL

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n/an/a 14n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of calf thymus topoisomerase 1-mediated relaxation of supercoiled pBR322 DNA measured after 30 mins by agarose gel electrophoresis method


Bioorg Med Chem 26: 4916-4929 (2018)


Article DOI: 10.1016/j.bmc.2018.08.031
BindingDB Entry DOI: 10.7270/Q2FJ2KBF
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564745
PNG
(CHEMBL4797072)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)c1
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n/an/a 310n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564751
PNG
(CHEMBL4792614)
Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCC2)cc1
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n/an/a 330n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564744
PNG
(CHEMBL4782392)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCOCC1
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n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564752
PNG
(CHEMBL4791531)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCC1
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n/an/a 430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564761
PNG
(CHEMBL4780565)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564757
PNG
(CHEMBL4780971)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(Cc2ccccc2)CC1
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n/an/a 670n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564760
PNG
(CHEMBL4796056)
Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCN(Cc3ccccc3)CC2)cc1
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n/an/a 840n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564756
PNG
(CHEMBL4784961)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1
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n/an/a 920n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564747
PNG
(CHEMBL4796999)
Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1
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n/an/a 1.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564743
PNG
(CHEMBL4789458)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCOCC1
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564763
PNG
(CHEMBL4777374)
Show SMILES Cc1ccc(NC(=O)Nc2nc(Nc3ccccc3)cc(Sc3c[nH]c4ccccc34)n2)cc1
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n/an/a 1.33E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564766
PNG
(CHEMBL4789638)
Show SMILES COc1ccc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc1
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n/an/a 1.43E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564742
PNG
(CHEMBL4797262)
Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCOCC2)cc1
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n/an/a 1.44E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564754
PNG
(CHEMBL4789042)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(CC1)c1ccccn1
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n/an/a 1.71E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564767
PNG
(CHEMBL4784540)
Show SMILES Clc1ccc(Nc2cc(Sc3c[nH]c4ccccc34)nc(NC(=O)Nc3ccccc3)n2)cc1
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n/an/a 1.81E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564746
PNG
(CHEMBL4780987)
Show SMILES Clc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCCC2)cc1
PDB
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n/an/a 1.82E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564741
PNG
(CHEMBL4786985)
Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCOCC2)cc1
PDB
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n/an/a 1.92E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564758
PNG
(CHEMBL4799658)
Show SMILES Cc1ccc(C)c(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCN(Cc3ccccc3)CC2)c1
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n/an/a 2.14E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564750
PNG
(CHEMBL4782982)
Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCCC2)cc1
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n/an/a 2.61E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564753
PNG
(CHEMBL4791160)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Nc2ccccc2)cc(Sc2c[nH]c3ccccc23)n1
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n/an/a 2.74E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564764
PNG
(CHEMBL4796483)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Nc2ccccc2)cc(Sc2c[nH]c3ccccc23)n1
PDB
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n/an/a 2.82E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564749
PNG
(CHEMBL4783119)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCC1
PDB
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n/an/a 3.23E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564765
PNG
(CHEMBL4794661)
Show SMILES COc1cc(NC(=O)Nc2nc(Nc3cc(OC)cc(OC)c3)cc(Sc3c[nH]c4ccccc34)n2)cc(OC)c1
PDB
MMDB

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UniChem
Article
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n/an/a 3.51E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564755
PNG
(CHEMBL4798001)
Show SMILES COc1ccc(NC(=O)Nc2nc(Sc3c[nH]c4ccccc34)cc(n2)N2CCN(CC2)c2ccccn2)cc1
PDB
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n/an/a 4.15E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564748
PNG
(CHEMBL4788820)
Show SMILES O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCCCC1
PDB
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n/an/a 4.55E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564759
PNG
(CHEMBL4794056)
Show SMILES Cc1cc(Cl)ccc1NC(=O)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(Cc2ccccc2)CC1
PDB
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n/an/a 4.86E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50564762
PNG
(CHEMBL4785657)
Show SMILES O=C(Nc1ccccc1)Nc1nc(NC2CC2)cc(Sc2c[nH]c3ccccc23)n1
PDB
MMDB

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n/an/a 5.22E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human N-terminal GST tagged VEGFR2 expressed in Sf9 insect cells using Poly- (Glu4:Tyr)-biotin substrate incubated for 45 mins by Kinas...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112457
BindingDB Entry DOI: 10.7270/Q2WD4491
More data for this
Ligand-Target Pair