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Compile Data Set for Download or QSAR

Found 12 hits of ic50 data for polymerid = 49001072   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ABL1


(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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n/an/a 22n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 62n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 120n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 280n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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 320n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 460n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 620n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 930n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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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n/an/a 1.35E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
ABL1


(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/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair