Compile Data Set for Download or QSAR

Found 32 hits of ic50 data for polymerid = 4453   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68208 (Type II inhibitor, 2) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-19(30-22(33)16-4-2-6-18(12-16)24(25,26)27)13-21(15)32-23-29-11-9-20(31-23)17-5-3-10-28-14-17/h2-14H,1H3,(H,30,33)(H,29,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68217 (Type I progenitor, 11) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-1.06,-4.07,;-1.06,-2.53,;-2.39,-1.76,;.28,-1.76,;1.61,-2.53,;2.94,-1.76,;2.94,-.22,;1.61,.55,;1.61,2.09,;2.94,2.86,;2.94,4.4,;4.28,5.17,;5.61,4.4,;6.94,5.17,;8.28,4.4,;9.61,5.17,;9.61,6.71,;8.28,7.48,;10.94,7.48,;12.28,6.71,;12.28,5.17,;10.94,4.4,;10.94,2.86,;8.28,2.86,;9.61,2.09,;6.94,2.09,;6.94,.55,;5.61,2.86,;4.28,2.09,;.28,-.22,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-12(29)13-5-3-6-15(9-13)26-22-25-11-14-10-16(21(30)28(2)20(14)27-22)19-17(23)7-4-8-18(19)24/h3-12,29H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68217 (Type I progenitor, 11) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-1.06,-4.07,;-1.06,-2.53,;-2.39,-1.76,;.28,-1.76,;1.61,-2.53,;2.94,-1.76,;2.94,-.22,;1.61,.55,;1.61,2.09,;2.94,2.86,;2.94,4.4,;4.28,5.17,;5.61,4.4,;6.94,5.17,;8.28,4.4,;9.61,5.17,;9.61,6.71,;8.28,7.48,;10.94,7.48,;12.28,6.71,;12.28,5.17,;10.94,4.4,;10.94,2.86,;8.28,2.86,;9.61,2.09,;6.94,2.09,;6.94,.55,;5.61,2.86,;4.28,2.09,;.28,-.22,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-12(29)13-5-3-6-15(9-13)26-22-25-11-14-10-16(21(30)28(2)20(14)27-22)19-17(23)7-4-8-18(19)24/h3-12,29H,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM50242740 (CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...) Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68219 (Type II inhibitor, 13) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1 Show InChI InChI=1S/C31H25ClF3N5O3/c1-17(41)18-6-5-9-22(13-18)37-30-36-16-20-14-25(29(43)40(3)27(20)38-30)24-15-23(10-11-26(24)32)39(2)28(42)19-7-4-8-21(12-19)31(33,34)35/h4-17,41H,1-3H3,(H,36,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM50242740 (CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...) Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68218 (Type II inhibitor, 12) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1 Show InChI InChI=1S/C30H23ClF3N5O3/c1-16(40)17-5-4-8-21(12-17)37-29-35-15-19-13-24(28(42)39(2)26(19)38-29)23-14-22(9-10-25(23)31)36-27(41)18-6-3-7-20(11-18)30(32,33)34/h3-16,40H,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19.6	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM13530 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68218 (Type II inhibitor, 12) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4Cl)c(=O)n(C)c3n2)c1 Show InChI InChI=1S/C30H23ClF3N5O3/c1-16(40)17-5-4-8-21(12-17)37-29-35-15-19-13-24(28(42)39(2)26(19)38-29)23-14-22(9-10-25(23)31)36-27(41)18-6-3-7-20(11-18)30(32,33)34/h3-16,40H,1-2H3,(H,36,41)(H,35,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27.2	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68219 (Type II inhibitor, 13) Show SMILES CC(O)c1cccc(Nc2ncc3cc(-c4cc(ccc4Cl)N(C)C(=O)c4cccc(c4)C(F)(F)F)c(=O)n(C)c3n2)c1 Show InChI InChI=1S/C31H25ClF3N5O3/c1-17(41)18-6-5-9-22(13-18)37-30-36-16-20-14-25(29(43)40(3)27(20)38-30)24-15-23(10-11-26(24)32)39(2)28(42)19-7-4-8-21(12-19)31(33,34)35/h4-17,41H,1-3H3,(H,36,37,38)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68208 (Type II inhibitor, 2) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C24H18F3N5O/c1-15-7-8-19(30-22(33)16-4-2-6-18(12-16)24(25,26)27)13-21(15)32-23-29-11-9-20(31-23)17-5-3-10-28-14-17/h2-14H,1H3,(H,30,33)(H,29,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68214 (Type II inhibitor, 8) Show SMILES Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1 Show InChI InChI=1S/C25H17F3N4O2S/c1-13-9-17(31-23(33)14-3-2-4-16(10-14)25(26,27)28)5-6-19(13)32-24(34)20-11-15-12-30-22-18(7-8-29-22)21(15)35-20/h2-12H,1H3,(H,29,30)(H,31,33)(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68211 (Type II inhibitor, 5) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1 Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	374	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68209 (Type II inhibitor, 3) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C25H20F3N5O/c1-16-8-9-20(33(2)23(34)17-5-3-7-19(13-17)25(26,27)28)14-22(16)32-24-30-12-10-21(31-24)18-6-4-11-29-15-18/h3-15H,1-2H3,(H,30,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68207 (Type I progenitor, 1) Show SMILES Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C16H13ClN4/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68213 (Type I progenitor, 7) Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1 Show InChI InChI=1S/C20H18N4O2S/c25-20(17-11-13-12-22-19-16(5-6-21-19)18(13)27-17)23-14-1-3-15(4-2-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,21,22)(H,23,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68210 (Type I progenitor, 4) Show SMILES O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C12H8N4O3/c17-16(18)8-1-3-9(4-2-8)19-12-10-5-6-13-11(10)14-7-15-12/h1-7H,(H,13,14,15)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68216 (Type II inhibitor, 10) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1 Show InChI InChI=1S/C26H19F3N4O2S/c1-14-10-18(33(2)25(35)15-4-3-5-17(11-15)26(27,28)29)6-7-20(14)32-24(34)21-12-16-13-31-23-19(8-9-30-23)22(16)36-21/h3-13H,1-2H3,(H,30,31)(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68212 (Type II inhibitor, 6) Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1 Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-3-1-2-13(10-14)11-18(29)28-15-4-6-16(7-5-15)30-20-17-8-9-25-19(17)26-12-27-20/h1-10,12H,11H2,(H,28,29)(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68211 (Type II inhibitor, 5) Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1 Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(10-12)28-19(29)27-13-4-6-15(7-5-13)30-18-16-8-9-24-17(16)25-11-26-18/h1-11H,(H,24,25,26)(H2,27,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68210 (Type I progenitor, 4) Show SMILES O=N(=O)c1ccc(Oc2ncnc3[nH]ccc23)cc1 Show InChI InChI=1S/C12H8N4O3/c17-16(18)8-1-3-9(4-2-8)19-12-10-5-6-13-11(10)14-7-15-12/h1-7H,(H,13,14,15)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68209 (Type II inhibitor, 3) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C25H20F3N5O/c1-16-8-9-20(33(2)23(34)17-5-3-7-19(13-17)25(26,27)28)14-22(16)32-24-30-12-10-21(31-24)18-6-4-11-29-15-18/h3-15H,1-2H3,(H,30,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68220 (Type II inhibitor, 15) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O Show InChI InChI=1S/C23H21F3N6O2/c1-13-7-8-17(30(2)20(33)14-5-4-6-16(9-14)23(24,25)26)10-18(13)32-12-15-11-28-21(27)29-19(15)31(3)22(32)34/h4-11H,12H2,1-3H3,(H2,27,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68213 (Type I progenitor, 7) Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1)c1cc2cnc3[nH]ccc3c2s1 Show InChI InChI=1S/C20H18N4O2S/c25-20(17-11-13-12-22-19-16(5-6-21-19)18(13)27-17)23-14-1-3-15(4-2-14)24-7-9-26-10-8-24/h1-6,11-12H,7-10H2,(H,21,22)(H,23,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68207 (Type I progenitor, 1) Show SMILES Cc1ccc(Cl)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C16H13ClN4/c1-11-4-5-13(17)9-15(11)21-16-19-8-6-14(20-16)12-3-2-7-18-10-12/h2-10H,1H3,(H,19,20,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68212 (Type II inhibitor, 6) Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccc(Oc3ncnc4[nH]ccc34)cc2)c1 Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)14-3-1-2-13(10-14)11-18(29)28-15-4-6-16(7-5-15)30-20-17-8-9-25-19(17)26-12-27-20/h1-10,12H,11H2,(H,28,29)(H,25,26,27)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using dephophorylated conformationally inactive Abl kinase was obtained by treating pure recombinant Abl with Yersinia ester...				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68214 (Type II inhibitor, 8) Show SMILES Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1 Show InChI InChI=1S/C25H17F3N4O2S/c1-13-9-17(31-23(33)14-3-2-4-16(10-14)25(26,27)28)5-6-19(13)32-24(34)20-11-15-12-30-22-18(7-8-29-22)21(15)35-20/h2-12H,1H3,(H,29,30)(H,31,33)(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68216 (Type II inhibitor, 10) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(NC(=O)c2cc3cnc4[nH]ccc4c3s2)c(C)c1 Show InChI InChI=1S/C26H19F3N4O2S/c1-14-10-18(33(2)25(35)15-4-3-5-17(11-15)26(27,28)29)6-7-20(14)32-24(34)21-12-16-13-31-23-19(8-9-30-23)22(16)36-21/h3-13H,1-2H3,(H,30,31)(H,32,34)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM68220 (Type II inhibitor, 15) Show SMILES CN(C(=O)c1cccc(c1)C(F)(F)F)c1ccc(C)c(c1)N1Cc2cnc(N)nc2N(C)C1=O Show InChI InChI=1S/C23H21F3N6O2/c1-13-7-8-17(30(2)20(33)14-5-4-6-16(9-14)23(24,25)26)10-18(13)32-12-15-11-28-21(27)29-19(15)31(3)22(32)34/h4-11H,12H2,1-3H3,(H2,27,28,29)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [1-999,Q252H] (Homo sapiens (Human))	BDBM13530 (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)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	7.5	n/a
The Scripps Research Institute					Assay Description An in vitro kinase assay using phosphorylated recombinant human Abl kinase domains to phosphorylate a peptide substrate.				Chem Biol 13: 779-86 (2006) Article DOI: 10.1016/j.chembiol.2006.05.015 BindingDB Entry DOI: 10.7270/Q2JM2836
					More data for this Ligand-Target Pair				3D Structure (crystal)