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PubMed code 24119291

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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))
BDBM108055
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1
Show InChI InChI=1S/C26H27N9O2S/c1-16-14-17(2)29-26(28-16)33-38(36,37)21-9-6-19(7-10-21)30-25-27-13-12-24(31-25)34(4)20-8-11-22-18(3)35(5)32-23(22)15-20/h6-15H,1-5H3,(H,27,30,31)(H,28,29,33)
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PubMed
n/an/a 12n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108055
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nc(C)cc(C)n2)n1
Show InChI InChI=1S/C26H27N9O2S/c1-16-14-17(2)29-26(28-16)33-38(36,37)21-9-6-19(7-10-21)30-25-27-13-12-24(31-25)34(4)20-8-11-22-18(3)35(5)32-23(22)15-20/h6-15H,1-5H3,(H,27,30,31)(H,28,29,33)
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PubMed
n/an/a 22n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108053
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccc(C)n2)n1
Show InChI InChI=1S/C25H25N9O2S/c1-16-11-13-27-25(28-16)32-37(35,36)20-8-5-18(6-9-20)29-24-26-14-12-23(30-24)33(3)19-7-10-21-17(2)34(4)31-22(21)15-19/h5-15H,1-4H3,(H,26,29,30)(H,27,28,32)
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PubMed
n/an/a 25n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108051
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)n1
Show InChI InChI=1S/C24H23N9O2S/c1-16-20-10-7-18(15-21(20)30-33(16)3)32(2)22-11-14-27-24(29-22)28-17-5-8-19(9-6-17)36(34,35)31-23-25-12-4-13-26-23/h4-15H,1-3H3,(H,25,26,31)(H,27,28,29)
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PubMed
n/an/a 29n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108050
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)n3)ccc12
Show InChI InChI=1S/C23H21N9O2S/c1-15-19-9-6-17(14-20(19)30-32(15)2)27-21-10-13-26-23(29-21)28-16-4-7-18(8-5-16)35(33,34)31-22-24-11-3-12-25-22/h3-14H,1-2H3,(H,24,25,31)(H2,26,27,28,29)
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PubMed
n/an/a 34n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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Article
PubMed
n/an/a 43n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108053
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2nccc(C)n2)n1
Show InChI InChI=1S/C25H25N9O2S/c1-16-11-13-27-25(28-16)32-37(35,36)20-8-5-18(6-9-20)29-24-26-14-12-23(30-24)33(3)19-7-10-21-17(2)34(4)31-22(21)15-19/h5-15H,1-4H3,(H,26,29,30)(H,27,28,32)
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PubMed
n/an/a 62n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108051
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)n1
Show InChI InChI=1S/C24H23N9O2S/c1-16-20-10-7-18(15-21(20)30-33(16)3)32(2)22-11-14-27-24(29-22)28-17-5-8-19(9-6-17)36(34,35)31-23-25-12-4-13-26-23/h4-15H,1-3H3,(H,25,26,31)(H,27,28,29)
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PubMed
n/an/a 120n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108054
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nc(C)cc(C)n4)n3)ccc12
Show InChI InChI=1S/C25H25N9O2S/c1-15-13-16(2)28-25(27-15)33-37(35,36)20-8-5-18(6-9-20)30-24-26-12-11-23(31-24)29-19-7-10-21-17(3)34(4)32-22(21)14-19/h5-14H,1-4H3,(H,27,28,33)(H2,26,29,30,31)
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PubMed
n/an/a 120n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108052
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nccc(C)n4)n3)ccc12
Show InChI InChI=1S/C24H23N9O2S/c1-15-10-12-26-24(27-15)32-36(34,35)19-7-4-17(5-8-19)29-23-25-13-11-22(30-23)28-18-6-9-20-16(2)33(3)31-21(20)14-18/h4-14H,1-3H3,(H,26,27,32)(H2,25,28,29,30)
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PubMed
n/an/a 160n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108052
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nccc(C)n4)n3)ccc12
Show InChI InChI=1S/C24H23N9O2S/c1-15-10-12-26-24(27-15)32-36(34,35)19-7-4-17(5-8-19)29-23-25-13-11-22(30-23)28-18-6-9-20-16(2)33(3)31-21(20)14-18/h4-14H,1-3H3,(H,26,27,32)(H2,25,28,29,30)
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PubMed
n/an/a 280n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108057
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)n1
Show InChI InChI=1S/C24H24N8O3S/c1-15-13-22(29-35-15)30-36(33,34)19-8-5-17(6-9-19)26-24-25-12-11-23(27-24)31(3)18-7-10-20-16(2)32(4)28-21(20)14-18/h5-14H,1-4H3,(H,29,30)(H,25,26,27)
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PubMed
n/an/a 320n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108054
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4nc(C)cc(C)n4)n3)ccc12
Show InChI InChI=1S/C25H25N9O2S/c1-15-13-16(2)28-25(27-15)33-37(35,36)20-8-5-18(6-9-20)30-24-26-12-11-23(31-24)29-19-7-10-21-17(3)34(4)32-22(21)14-19/h5-14H,1-4H3,(H,27,28,33)(H2,26,29,30,31)
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n/an/a 360n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108059
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NC(N)=N)n1
Show InChI InChI=1S/C21H23N9O2S/c1-13-17-9-6-15(12-18(17)27-30(13)3)29(2)19-10-11-24-21(26-19)25-14-4-7-16(8-5-14)33(31,32)28-20(22)23/h4-12H,1-3H3,(H4,22,23,28)(H,24,25,26)
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n/an/a 360n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108050
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)Nc4ncccn4)n3)ccc12
Show InChI InChI=1S/C23H21N9O2S/c1-15-19-9-6-17(14-20(19)30-32(15)2)27-21-10-13-26-23(29-21)28-16-4-7-18(8-5-16)35(33,34)31-22-24-11-3-12-25-22/h3-14H,1-2H3,(H,24,25,31)(H2,26,27,28,29)
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PubMed
n/an/a 460n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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PubMed
n/an/a 620n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108057
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)n1
Show InChI InChI=1S/C24H24N8O3S/c1-15-13-22(29-35-15)30-36(33,34)19-8-5-17(6-9-19)26-24-25-12-11-23(27-24)31(3)18-7-10-20-16(2)32(4)28-21(20)14-18/h5-14H,1-4H3,(H,29,30)(H,25,26,27)
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n/an/a 650n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108059
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NC(N)=N)n1
Show InChI InChI=1S/C21H23N9O2S/c1-13-17-9-6-15(12-18(17)27-30(13)3)29(2)19-10-11-24-21(26-19)25-14-4-7-16(8-5-14)33(31,32)28-20(22)23/h4-12H,1-3H3,(H4,22,23,28)(H,24,25,26)
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n/an/a 720n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108049
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(N)(=O)=O)n3)ccc12
Show InChI InChI=1S/C19H19N7O2S/c1-12-16-8-5-14(11-17(16)25-26(12)2)22-18-9-10-21-19(24-18)23-13-3-6-15(7-4-13)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H2,21,22,23,24)
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PubMed
n/an/a 870n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108058
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)NC(N)=N)n3)ccc12
Show InChI InChI=1S/C20H21N9O2S/c1-12-16-8-5-14(11-17(16)27-29(12)2)24-18-9-10-23-20(26-18)25-13-3-6-15(7-4-13)32(30,31)28-19(21)22/h3-11H,1-2H3,(H4,21,22,28)(H2,23,24,25,26)
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PubMed
n/an/a 930n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108058
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(=O)(=O)NC(N)=N)n3)ccc12
Show InChI InChI=1S/C20H21N9O2S/c1-12-16-8-5-14(11-17(16)27-29(12)2)24-18-9-10-23-20(26-18)25-13-3-6-15(7-4-13)32(30,31)28-19(21)22/h3-11H,1-2H3,(H4,21,22,28)(H2,23,24,25,26)
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PubMed
n/an/a 1.34E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108049
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) ami...)
Show SMILES Cc1n(C)nc2cc(Nc3ccnc(Nc4ccc(cc4)S(N)(=O)=O)n3)ccc12
Show InChI InChI=1S/C19H19N7O2S/c1-12-16-8-5-14(11-17(16)25-26(12)2)22-18-9-10-21-19(24-18)23-13-3-6-15(7-4-13)29(20,27)28/h3-11H,1-2H3,(H2,20,27,28)(H2,21,22,23,24)
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PubMed
n/an/a 1.35E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase


(Homo sapiens (Human))
BDBM108059
PNG
(N-carbamimidoyl-4-((4-((2,3-dimethyl-2H-indazole- ...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(cc2)S(=O)(=O)NC(N)=N)n1
Show InChI InChI=1S/C21H23N9O2S/c1-13-17-9-6-15(12-18(17)27-30(13)3)29(2)19-10-11-24-21(26-19)25-14-4-7-16(8-5-14)33(31,32)28-20(22)23/h4-12H,1-3H3,(H4,22,23,28)(H,24,25,26)
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n/an/a 1.37E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM108056
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)no1
Show InChI InChI=1S/C23H22N8O3S/c1-14-12-22(29-34-14)30-35(32,33)18-7-4-16(5-8-18)26-23-24-11-10-21(27-23)25-17-6-9-19-15(2)31(3)28-20(19)13-17/h4-13H,1-3H3,(H,29,30)(H2,24,25,26,27)
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PubMed
n/an/a 1.63E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM108056
PNG
(4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrim...)
Show SMILES Cc1cc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)no1
Show InChI InChI=1S/C23H22N8O3S/c1-14-12-22(29-34-14)30-35(32,33)18-7-4-16(5-8-18)26-23-24-11-10-21(27-23)25-17-6-9-19-15(2)31(3)28-20(19)13-17/h4-13H,1-3H3,(H,29,30)(H2,24,25,26,27)
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n/an/a 2.18E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
Receptor protein-tyrosine kinase


(Homo sapiens (Human))
BDBM26474
PNG
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)
Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25)
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PubMed
n/an/a 5.95E+3n/an/an/an/an/a25



Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China.



Assay Description
To the assay kit, 2.5 µL of different concentrate of the test compounds, Pazopanib or water (control) were added and incubated for 1 h at room t...


Chem Biol Drug Des 83: 306-16 (2014)


Article DOI: 10.1111/cbdd.12243
BindingDB Entry DOI: 10.7270/Q2PR7TM2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%