Compile Data Set for Download or QSAR

Found 413 hits Enz. Inhib. hit(s) with Target = 'Bcr/Abl fusion protein'   

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
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155559 (1-(4-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...) Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C25H25N7O/c1-17-6-7-20(29-25(33)28-19-8-10-21(11-9-19)32(2)3)15-23(17)31-24-27-14-12-22(30-24)18-5-4-13-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155567 (1-(3-Dimethylamino-phenyl)-3-[4-methyl-3-(4-pyridi...) Show SMILES CN(C)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H25N7O/c1-17-9-10-20(29-25(33)28-19-7-4-8-21(14-19)32(2)3)15-23(17)31-24-27-13-11-22(30-24)18-6-5-12-26-16-18/h4-16H,1-3H3,(H,27,30,31)(H2,28,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	573	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155568 (1-(3-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1cccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-10-6-9-21(16-23)30-27(35)31-22-12-11-19(3)25(17-22)33-26-29-15-13-24(32-26)20-8-7-14-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155557 (1-(4-Diethylamino-phenyl)-3-[4-methyl-3-(4-pyridin...) Show SMILES CCN(CC)c1ccc(NC(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C27H29N7O/c1-4-34(5-2)23-12-10-21(11-13-23)30-27(35)31-22-9-8-19(3)25(17-22)33-26-29-16-14-24(32-26)20-7-6-15-28-18-20/h6-18H,4-5H2,1-3H3,(H,29,32,33)(H2,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155560 (1-(3-Chloro-phenyl)-3-[4-methyl-3-(4-pyridin-3-yl-...) Show SMILES Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C23H19ClN6O/c1-15-7-8-19(28-23(31)27-18-6-2-5-17(24)12-18)13-21(15)30-22-26-11-9-20(29-22)16-4-3-10-25-14-16/h2-14H,1H3,(H,26,29,30)(H2,27,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155562 (1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...) Show SMILES Cc1ccc(NC(=O)Nc2cccc(c2)N2CCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C27H27N7O/c1-19-9-10-22(31-27(35)30-21-7-4-8-23(16-21)34-14-2-3-15-34)17-25(19)33-26-29-13-11-24(32-26)20-6-5-12-28-18-20/h4-13,16-18H,2-3,14-15H2,1H3,(H,29,32,33)(H2,30,31,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155561 (4-Methyl-piperazine-1-carboxylic acid [4-methyl-3-...) Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C22H25N7O/c1-16-5-6-18(25-22(30)29-12-10-28(2)11-13-29)14-20(16)27-21-24-9-7-19(26-21)17-4-3-8-23-15-17/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155565 (CHEMBL185775 | Piperidine-1-carboxylic acid [4-met...) Show SMILES Cc1ccc(NC(=O)N2CCCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C22H24N6O/c1-16-7-8-18(25-22(29)28-12-3-2-4-13-28)14-20(16)27-21-24-11-9-19(26-21)17-6-5-10-23-15-17/h5-11,14-15H,2-4,12-13H2,1H3,(H,25,29)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Breakpoint cluster region protein (Homo sapiens (Human))	BDBM50155575 (1-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)...) Show SMILES Cc1ccc(NC(=O)NCCN2CCCC2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C23H27N7O/c1-17-6-7-19(27-23(31)26-11-14-30-12-2-3-13-30)15-21(17)29-22-25-10-8-20(28-22)18-5-4-9-24-16-18/h4-10,15-16H,2-3,11-14H2,1H3,(H,25,28,29)(H2,26,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Bcr-Abl tyrosine kinase				Bioorg Med Chem Lett 14: 5793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.09.042 BindingDB Entry DOI: 10.7270/Q2QF8SC3
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM195888 (US9670214, TABLE 10.1) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1 Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM195888 (US9670214, TABLE 10.1) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3[nH]ncc23)cc1 Show InChI InChI=1S/C12H8F3N5O/c13-12(14,15)21-8-3-1-7(2-4-8)19-10-9-5-18-20-11(9)17-6-16-10/h1-6H,(H2,16,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328199 (1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo...) Show SMILES CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O/c1-2-22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328199 (1-ethyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo...) Show SMILES CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O/c1-2-22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328129 (2-ethyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo...) Show SMILES CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H12F3N5O/c1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328129 (2-ethyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazolo...) Show SMILES CCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H12F3N5O/c1-2-22-7-11-12(18-8-19-13(11)21-22)20-9-3-5-10(6-4-9)23-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM195891 (US9670214, TABLE 10.4) Show SMILES CCS(=O)(=O)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O3S/c1-2-26(23,24)22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)25-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM195891 (US9670214, TABLE 10.4) Show SMILES CCS(=O)(=O)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O3S/c1-2-26(23,24)22-13-11(7-20-22)12(18-8-19-13)21-9-3-5-10(6-4-9)25-14(15,16)17/h3-8H,2H2,1H3,(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328201 (1-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)C2CCCCC2)cc1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)25-16-15-10-24-26(17(15)23-11-22-16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,22,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328201 (1-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(ncc23)C2CCCCC2)cc1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)25-16-15-10-24-26(17(15)23-11-22-16)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328131 (2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328131 (2-cyclohexyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyr...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(cc23)C2CCCCC2)cc1 Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)27-14-8-6-12(7-9-14)24-16-15-10-26(13-4-2-1-3-5-13)25-17(15)23-11-22-16/h6-11,13H,1-5H2,(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328198 (2-(4-(4-(Trifluoromethoxy)phenylamino)-1H-pyrazolo...) Show SMILES OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)21-12-11-7-20-22(5-6-23)13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328198 (2-(4-(4-(Trifluoromethoxy)phenylamino)-1H-pyrazolo...) Show SMILES OCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)21-12-11-7-20-22(5-6-23)13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328128 (2-(4-(4-(Trifluoromethoxy)phenylamino)-2H-pyrazolo...) Show SMILES OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)20-12-11-7-22(5-6-23)21-13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,20,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328128 (2-(4-(4-(Trifluoromethoxy)phenylamino)-2H-pyrazolo...) Show SMILES OCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H12F3N5O2/c15-14(16,17)24-10-3-1-9(2-4-10)20-12-11-7-22(5-6-23)21-13(11)19-8-18-12/h1-4,7-8,23H,5-6H2,(H,18,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328202 (2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo...) Show SMILES NC(=O)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)22-12-10-5-21-23(6-11(18)24)13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328202 (2-(4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo...) Show SMILES NC(=O)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)22-12-10-5-21-23(6-11(18)24)13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328132 (2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo...) Show SMILES NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	346	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328132 (2-(4-(4-(trifluoromethoxy)phenylamino)-2H-pyrazolo...) Show SMILES NC(=O)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H11F3N6O2/c15-14(16,17)25-9-3-1-8(2-4-9)21-12-10-5-23(6-11(18)24)22-13(10)20-7-19-12/h1-5,7H,6H2,(H2,18,24)(H,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM195898 (US9670214, TABLE 10.11) Show SMILES NC(=O)CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)23-13-11-7-22-24(6-5-12(19)25)14(11)21-8-20-13/h1-4,7-8H,5-6H2,(H2,19,25)(H,20,21,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	910	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM195898 (US9670214, TABLE 10.11) Show SMILES NC(=O)CCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)23-13-11-7-22-24(6-5-12(19)25)14(11)21-8-20-13/h1-4,7-8H,5-6H2,(H2,19,25)(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328123 (1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluorome...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CC4CCOC4)ncc23)cc1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)24-15-14-7-23-25(16(14)22-10-21-15)8-11-5-6-26-9-11/h1-4,7,10-11H,5-6,8-9H2,(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	690	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328123 (1-((tetrahydrofuran-3-yl)methyl)-N-(4-(trifluorome...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(CC4CCOC4)ncc23)cc1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)24-15-14-7-23-25(16(14)22-10-21-15)8-11-5-6-26-9-11/h1-4,7,10-11H,5-6,8-9H2,(H,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM195900 (US9670214, TABLE 10.13) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(CC4CCOC4)cc23)cc1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)23-15-14-8-25(7-11-5-6-26-9-11)24-16(14)22-10-21-15/h1-4,8,10-11H,5-7,9H2,(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM195900 (US9670214, TABLE 10.13) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(CC4CCOC4)cc23)cc1 Show InChI InChI=1S/C17H16F3N5O2/c18-17(19,20)27-13-3-1-12(2-4-13)23-15-14-8-25(7-11-5-6-26-9-11)24-16(14)22-10-21-15/h1-4,8,10-11H,5-7,9H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.36E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM196100 (US9670214, TABLE 10.14) Show SMILES CN(C)CC(C#N)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C17H16F3N7O/c1-26(2)9-12(7-21)27-16-14(8-24-27)15(22-10-23-16)25-11-3-5-13(6-4-11)28-17(18,19)20/h3-6,8,10,12H,9H2,1-2H3,(H,22,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM196100 (US9670214, TABLE 10.14) Show SMILES CN(C)CC(C#N)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C17H16F3N7O/c1-26(2)9-12(7-21)27-16-14(8-24-27)15(22-10-23-16)25-11-3-5-13(6-4-11)28-17(18,19)20/h3-6,8,10,12H,9H2,1-2H3,(H,22,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM196167 (US9670214, TABLE 10.15) Show SMILES CCCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-15-13(9-22-24)14(20-10-21-15)23-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	270	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM196167 (US9670214, TABLE 10.15) Show SMILES CCCCn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-15-13(9-22-24)14(20-10-21-15)23-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM196173 (US9670214, TABLE 10.16) Show SMILES CCCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-9-13-14(20-10-21-15(13)23-24)22-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,22,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM196173 (US9670214, TABLE 10.16) Show SMILES CCCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C16H16F3N5O/c1-2-3-8-24-9-13-14(20-10-21-15(13)23-24)22-11-4-6-12(7-5-11)25-16(17,18)19/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328124 (1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...) Show SMILES CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328124 (1-tert-butyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyr...) Show SMILES CC(C)(C)n1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C16H16F3N5O/c1-15(2,3)24-14-12(8-22-24)13(20-9-21-14)23-10-4-6-11(7-5-10)25-16(17,18)19/h4-9H,1-3H3,(H,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM196175 (US9670214, TABLE 10.18) Show SMILES FC(F)(F)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-12-10(5-23-25)11(21-7-22-12)24-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	308	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM196175 (US9670214, TABLE 10.18) Show SMILES FC(F)(F)Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-12-10(5-23-25)11(21-7-22-12)24-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM196176 (US9670214, TABLE 10.19) Show SMILES FC(F)(F)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-5-10-11(21-7-22-12(10)24-25)23-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,23,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	570	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM196176 (US9670214, TABLE 10.19) Show SMILES FC(F)(F)Cn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C14H9F6N5O/c15-13(16,17)6-25-5-10-11(21-7-22-12(10)24-25)23-8-1-3-9(4-2-8)26-14(18,19)20/h1-5,7H,6H2,(H,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328120 (1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	400	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase [T818I] (Homo sapiens (Human))	BDBM50328120 (1-benzyl-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccccc4)ncc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)26-17-16-10-25-27(18(16)24-12-23-17)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,23,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair
Non-specific protein-tyrosine kinase (Homo sapiens (Human))	BDBM50328133 (2-benzyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4ccccc4)cc23)cc1 Show InChI InChI=1S/C19H14F3N5O/c20-19(21,22)28-15-8-6-14(7-9-15)25-17-16-11-27(26-18(16)24-12-23-17)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	n/a
DANA-FARBER CANCER INSTITUTE, INC.; THE SCRIPPS RESEARCH INSTITUTE US Patent					Assay Description In vitro kinase assays were carried out by using recombinant murine c-abl containing SH3, SH2 and kinase domains (residues 46-531) and full length im...				US Patent US9670214 (2017) BindingDB Entry DOI: 10.7270/Q2000086
					More data for this Ligand-Target Pair

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