Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50032381   

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/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328121 (1-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4cccnc4)ncc23)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-2-1-7-22-8-12/h1-9,11H,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.15E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328122 (4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...) Show SMILES NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1 Show InChI InChI=1S/C20H15F3N6O2/c21-20(22,23)31-15-7-5-14(6-8-15)28-18-16-9-27-29(19(16)26-11-25-18)10-12-1-3-13(4-2-12)17(24)30/h1-9,11H,10H2,(H2,24,30)(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.89E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	690	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328125 (1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328126 (1-((2,4-dimethylthiazol-5-yl)methyl)-N-(4-(trifluo...) Show SMILES Cc1nc(C)c(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)s1 Show InChI InChI=1S/C18H15F3N6OS/c1-10-15(29-11(2)25-10)8-27-17-14(7-24-27)16(22-9-23-17)26-12-3-5-13(6-4-12)28-18(19,20)21/h3-7,9H,8H2,1-2H3,(H,22,23,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.92E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328127 (CHEMBL1258694 | N-(4-(trifluoromethoxy)phenyl)-1H-...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n[nH]cc23)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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328130 (2-propyl-N-(4-(trifluoromethoxy)phenyl)-2H-pyrazol...) Show SMILES CCCn1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2n1 Show InChI InChI=1S/C15H14F3N5O/c1-2-7-23-8-12-13(19-9-20-14(12)22-23)21-10-3-5-11(6-4-10)24-15(16,17)18/h3-6,8-9H,2,7H2,1H3,(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328134 (2-(pyridin-3-ylmethyl)-N-(4-(trifluoromethoxy)phen...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3nn(Cc4cccnc4)cc23)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-5-3-13(4-6-14)25-16-15-10-27(26-17(15)24-11-23-16)9-12-2-1-7-22-8-12/h1-8,10-11H,9H2,(H,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328135 (CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328136 (6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328138 ((4-methylpiperazin-1-yl)(4-(4-(trifluoromethoxy)ph...) Show SMILES CN1CCN(CC1)C(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 Show InChI InChI=1S/C19H18F3N5O2S/c1-26-6-8-27(9-7-26)18(28)15-10-14-16(23-11-24-17(14)30-15)25-12-2-4-13(5-3-12)29-19(20,21)22/h2-5,10-11H,6-9H2,1H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328125 (1-(pyridin-4-ylmethyl)-N-(4-(trifluoromethoxy)phen...) Show SMILES FC(F)(F)Oc1ccc(Nc2ncnc3n(Cc4ccncc4)ncc23)cc1 Show InChI InChI=1S/C18H13F3N6O/c19-18(20,21)28-14-3-1-13(2-4-14)26-16-15-9-25-27(17(15)24-11-23-16)10-12-5-7-22-8-6-12/h1-9,11H,10H2,(H,23,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328139 (CHEMBL1241934 | N4-(2-morpholinoethyl)-N6-(4-(trif...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328140 (CHEMBL1258471 | N4-(3-morpholinopropyl)-N6-(4-(tri...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(NCCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C18H22F3N5O2/c19-18(20,21)28-15-4-2-14(3-5-15)25-17-12-16(23-13-24-17)22-6-1-7-26-8-10-27-11-9-26/h2-5,12-13H,1,6-11H2,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328142 (6-(1H-imidazol-1-yl)-N-(4-(trifluoromethoxy)phenyl...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-n2ccnc2)cc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)21-12-7-13(20-8-19-12)22-6-5-18-9-22/h1-9H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.66E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328144 (3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...) Show SMILES NC(=O)c1cccc(Nc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 Show InChI InChI=1S/C18H14F3N5O2/c19-18(20,21)28-14-6-4-12(5-7-14)25-15-9-16(24-10-23-15)26-13-3-1-2-11(8-13)17(22)27/h1-10H,(H2,22,27)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.92E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328145 (4-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...) Show SMILES NC(=O)c1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-5-13(6-8-14)25-16-9-15(23-10-24-16)11-1-3-12(4-2-11)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328146 (2-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...) Show SMILES NC(=O)c1ccccc1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H13F3N4O2/c19-18(20,21)27-12-7-5-11(6-8-12)25-16-9-15(23-10-24-16)13-3-1-2-4-14(13)17(22)26/h1-10H,(H2,22,26)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328148 (3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-...) Show SMILES NS(=O)(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C17H13F3N4O3S/c18-17(19,20)27-13-6-4-12(5-7-13)24-16-9-15(22-10-23-16)11-2-1-3-14(8-11)28(21,25)26/h1-10H,(H2,21,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	580	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328150 (6-(3-aminophenyl)-N-(4-(trifluoromethoxy)phenyl)py...) Show SMILES Nc1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)25-14-6-4-13(5-7-14)24-16-9-15(22-10-23-16)11-2-1-3-12(21)8-11/h1-10H,21H2,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	330	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328135 (CHEMBL1257308 | N-(4-(6-(4-(trifluoromethoxy)pheny...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H15F3N4O3S/c1-29(26,27)25-14-4-2-12(3-5-14)16-10-17(23-11-22-16)24-13-6-8-15(9-7-13)28-18(19,20)21/h2-11,25H,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328153 (CHEMBL1257424 | N-(2-morpholinoethyl)-3-(6-(4-(tri...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc(c2)C(=O)NCCN2CCOCC2)cc1 Show InChI InChI=1S/C24H24F3N5O3/c25-24(26,27)35-20-6-4-19(5-7-20)31-22-15-21(29-16-30-22)17-2-1-3-18(14-17)23(33)28-8-9-32-10-12-34-13-11-32/h1-7,14-16H,8-13H2,(H,28,33)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328154 (CHEMBL1257538 | N-methyl-3-(6-(4-(trifluoromethoxy...) Show SMILES CNC(=O)c1cccc(c1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C19H15F3N4O2/c1-23-18(27)13-4-2-3-12(9-13)16-10-17(25-11-24-16)26-14-5-7-15(8-6-14)28-19(20,21)22/h2-11H,1H3,(H,23,27)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328136 (6-(1H-pyrazol-4-yl)-N-(4-(trifluoromethoxy)phenyl)...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cn[nH]c2)cc1 Show InChI InChI=1S/C14H10F3N5O/c15-14(16,17)23-11-3-1-10(2-4-11)22-13-5-12(18-8-19-13)9-6-20-21-7-9/h1-8H,(H,20,21)(H,18,19,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328137 (6-(1-methyl-1H-pyrazol-4-yl)-N-(4-(trifluoromethox...) Show SMILES Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C15H12F3N5O/c1-23-8-10(7-21-23)13-6-14(20-9-19-13)22-11-2-4-12(5-3-11)24-15(16,17)18/h2-9H,1H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328156 (6-(1-isobutyl-1H-pyrazol-4-yl)-N-(4-(trifluorometh...) Show SMILES CC(C)Cn1cc(cn1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C18H18F3N5O/c1-12(2)9-26-10-13(8-24-26)16-7-17(23-11-22-16)25-14-3-5-15(6-4-14)27-18(19,20)21/h3-8,10-12H,9H2,1-2H3,(H,22,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328157 (6-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-N-(4-(triflu...) Show SMILES Cc1c(cnn1-c1ccccc1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C21H16F3N5O/c1-14-18(12-27-29(14)16-5-3-2-4-6-16)19-11-20(26-13-25-19)28-15-7-9-17(10-8-15)30-21(22,23)24/h2-13H,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	810	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328158 (CHEMBL1257780 | N-(4-(trifluoromethoxy)phenyl)-6-(...) Show SMILES Cc1nn(C)c(C)c1-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C17H16F3N5O/c1-10-16(11(2)25(3)24-10)14-8-15(22-9-21-14)23-12-4-6-13(7-5-12)26-17(18,19)20/h4-9H,1-3H3,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328159 (6-(1-(pyridin-3-ylmethyl)-1H-pyrazol-4-yl)-N-(4-(t...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cnn(Cc3cccnc3)c2)cc1 Show InChI InChI=1S/C20H15F3N6O/c21-20(22,23)30-17-5-3-16(4-6-17)28-19-8-18(25-13-26-19)15-10-27-29(12-15)11-14-2-1-7-24-9-14/h1-10,12-13H,11H2,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328160 (6-(1H-indol-4-yl)-N-(4-(trifluoromethoxy)phenyl)py...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2cccc3[nH]ccc23)cc1 Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-13-6-4-12(5-7-13)26-18-10-17(24-11-25-18)14-2-1-3-16-15(14)8-9-23-16/h1-11,23H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328161 (6-(1H-indol-5-yl)-N-(4-(trifluoromethoxy)phenyl)py...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccc3[nH]ccc3c2)cc1 Show InChI InChI=1S/C19H13F3N4O/c20-19(21,22)27-15-4-2-14(3-5-15)26-18-10-17(24-11-25-18)12-1-6-16-13(9-12)7-8-23-16/h1-11,23H,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328162 (6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(4-(trifluorom...) Show SMILES FC(F)(F)Oc1ccc(Nc2cc(ncn2)-c2ccnc3[nH]ccc23)cc1 Show InChI InChI=1S/C18H12F3N5O/c19-18(20,21)27-12-3-1-11(2-4-12)26-16-9-15(24-10-25-16)13-5-7-22-17-14(13)6-8-23-17/h1-10H,(H,22,23)(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328163 (6-(2-methylthiazol-4-yl)-N-(4-(trifluoromethoxy)ph...) Show SMILES Cc1nc(cs1)-c1cc(Nc2ccc(OC(F)(F)F)cc2)ncn1 Show InChI InChI=1S/C15H11F3N4OS/c1-9-21-13(7-24-9)12-6-14(20-8-19-12)22-10-2-4-11(5-3-10)23-15(16,17)18/h2-8H,1H3,(H,19,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328164 (CHEMBL1258129 | N4-methyl-N6-(2-morpholinoethyl)-N...) Show SMILES CN(c1ccc(OC(F)(F)F)cc1)c1cc(NCCN2CCOCC2)ncn1 Show InChI InChI=1S/C18H22F3N5O2/c1-25(14-2-4-15(5-3-14)28-18(19,20)21)17-12-16(23-13-24-17)22-6-7-26-8-10-27-11-9-26/h2-5,12-13H,6-11H2,1H3,(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328165 (CHEMBL1258242 | N4-(4-methoxyphenyl)-N6-(2-morphol...) Show SMILES COc1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C17H23N5O2/c1-23-15-4-2-14(3-5-15)21-17-12-16(19-13-20-17)18-6-7-22-8-10-24-11-9-22/h2-5,12-13H,6-11H2,1H3,(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328166 (CHEMBL1258243 | N4-(2-morpholinoethyl)-N6-(3-(trif...) Show SMILES FC(F)(F)Oc1cccc(Nc2cc(NCCN3CCOCC3)ncn2)c1 Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-2-13(10-14)24-16-11-15(22-12-23-16)21-4-5-25-6-8-26-9-7-25/h1-3,10-12H,4-9H2,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328167 (CHEMBL1258359 | N-(2-morpholinoethyl)-6-(4-(triflu...) Show SMILES FC(F)(F)Oc1ccc(Oc2cc(NCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C17H19F3N4O3/c18-17(19,20)27-14-3-1-13(2-4-14)26-16-11-15(22-12-23-16)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328168 (CHEMBL1258360 | N-(2-morpholinoethyl)-6-(4-(triflu...) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cc(NCCN2CCOCC2)ncn1 Show InChI InChI=1S/C17H19F3N4O2/c18-17(19,20)26-14-3-1-13(2-4-14)15-11-16(23-12-22-15)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328169 (CHEMBL1258473 | N4-(2-morpholinoethyl)-N6-(4-(trif...) Show SMILES FC(F)(F)c1ccc(Nc2cc(NCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C17H20F3N5O/c18-17(19,20)13-1-3-14(4-2-13)24-16-11-15(22-12-23-16)21-5-6-25-7-9-26-10-8-25/h1-4,11-12H,5-10H2,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328170 (CHEMBL1258474 | N4-(2-morpholinoethyl)-N6-(4-(trif...) Show SMILES FC(F)(F)Oc1ccc(CNc2cc(NCCN3CCOCC3)ncn2)cc1 Show InChI InChI=1S/C18H22F3N5O2/c19-18(20,21)28-15-3-1-14(2-4-15)12-23-17-11-16(24-13-25-17)22-5-6-26-7-9-27-10-8-26/h1-4,11,13H,5-10,12H2,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328171 (5-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluorome...) Show SMILES Cc1c(NCCN2CCOCC2)ncnc1Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H22F3N5O2/c1-13-16(22-6-7-26-8-10-27-11-9-26)23-12-24-17(13)25-14-2-4-15(5-3-14)28-18(19,20)21/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	970	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328172 (2-methyl-N4-(2-morpholinoethyl)-N6-(4-(trifluorome...) Show SMILES Cc1nc(NCCN2CCOCC2)cc(Nc2ccc(OC(F)(F)F)cc2)n1 Show InChI InChI=1S/C18H22F3N5O2/c1-13-23-16(22-6-7-26-8-10-27-11-9-26)12-17(24-13)25-14-2-4-15(5-3-14)28-18(19,20)21/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50328173 (CHEMBL1258692 | N4-(2-morpholinoethyl)-N2-(4-(trif...) Show SMILES FC(F)(F)Oc1ccc(Nc2nccc(NCCN3CCOCC3)n2)cc1 Show InChI InChI=1S/C17H20F3N5O2/c18-17(19,20)27-14-3-1-13(2-4-14)23-16-22-6-5-15(24-16)21-7-8-25-9-11-26-12-10-25/h1-6H,7-12H2,(H2,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells				J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW
					More data for this Ligand-Target Pair

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