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Found 15 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1 (c-Abl)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/a 0.0300n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185676
PNG
(DAS-DFGO-II-BODIPY)
Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)nc(C)n3)=[N+]1[B-]2(F)F
Show InChI InChI=1S/C42H40BF5N10O3S/c1-24-8-9-30(52-39(60)28-6-5-7-29(19-28)42(44,45)46)20-33(24)53-40(61)35-23-49-41(62-35)54-36-22-37(51-27(4)50-36)55-14-16-56(17-15-55)38(59)13-12-31-10-11-32-21-34-25(2)18-26(3)57(34)43(47,48)58(31)32/h5-11,18-23H,12-17H2,1-4H3,(H,52,60)(H,53,61)(H,49,50,51,54)
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n/an/an/a 0.75n/an/an/an/an/a



Stony Brook University



Assay Description
Reaction volumes of 50 μL were used in 96-well plates. Buffer A (1, 34 μL; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, foll...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185671
PNG
(DAS-DFGO-II)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H31F3N8O3S/c1-18-6-7-22(37-27(43)20-4-3-5-21(14-20)30(31,32)33)15-23(18)38-28(44)24-17-34-29(45-24)39-25-16-26(36-19(2)35-25)41-10-8-40(9-11-41)12-13-42/h3-7,14-17,42H,8-13H2,1-2H3,(H,37,43)(H,38,44)(H,34,35,36,39)
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n/an/an/a 2.90n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185672
PNG
(DAS-CHO-I)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C27H29N7O3S/c1-19-29-24(17-25(30-19)34-13-11-33(12-14-34)15-16-35)32-27-28-18-23(38-27)26(36)31-20-7-9-22(10-8-20)37-21-5-3-2-4-6-21/h2-10,17-18,35H,11-16H2,1H3,(H,31,36)(H,28,29,30,32)
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n/an/an/a 14n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185673
PNG
(DAS-CHO-II)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2ccc(Oc3ccccc3)cc2C)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C28H31N7O3S/c1-19-16-22(38-21-6-4-3-5-7-21)8-9-23(19)32-27(37)24-18-29-28(39-24)33-25-17-26(31-20(2)30-25)35-12-10-34(11-13-35)14-15-36/h3-9,16-18,36H,10-15H2,1-2H3,(H,32,37)(H,29,30,31,33)
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n/an/an/a 0.320n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/a 1.5n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/an/a 11n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185674
PNG
(4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)ca...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
Show InChI InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)
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n/an/an/a 7.20n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/an/a 0.700n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185670
PNG
(DAS-DFGO-I | N-(2-chloro-6-methylphenyl)-2-[[6-[4-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)
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n/an/an/a 1.80n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against phospho...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185671
PNG
(DAS-DFGO-II)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H31F3N8O3S/c1-18-6-7-22(37-27(43)20-4-3-5-21(14-20)30(31,32)33)15-23(18)38-28(44)24-17-34-29(45-24)39-25-16-26(36-19(2)35-25)41-10-8-40(9-11-41)12-13-42/h3-7,14-17,42H,8-13H2,1-2H3,(H,37,43)(H,38,44)(H,34,35,36,39)
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n/an/an/a 2n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against phospho...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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n/an/an/a 24n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against phospho...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/an/a 15n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against phospho...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185675
PNG
(DAS-BODIPY)
Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4c(C)cccc4Cl)nc(C)n3)=[N+]1[B-]2(F)F
Show InChI InChI=1S/C34H35BClF2N9O2S/c1-20-6-5-7-26(36)32(20)43-33(49)28-19-39-34(50-28)42-29-18-30(41-23(4)40-29)44-12-14-45(15-13-44)31(48)11-10-24-8-9-25-17-27-21(2)16-22(3)46(27)35(37,38)47(24)25/h5-9,16-19H,10-15H2,1-4H3,(H,43,49)(H,39,40,41,42)
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n/an/an/a 0.150n/an/an/an/an/a



Stony Brook University



Assay Description
Reaction volumes of 50 μL were used in 96-well plates. Buffer A (1, 34 μL; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, foll...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1 (c-Abl)


(Homo sapiens (Human))
BDBM185670
PNG
(DAS-DFGO-I | N-(2-chloro-6-methylphenyl)-2-[[6-[4-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)
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n/an/an/a 2.20n/an/an/an/an/a



Stony Brook University



Assay Description
Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...


Citation and Details
More data for this
Ligand-Target Pair