Compile Data Set for Download or QSAR

Found 134 hits of ic50 for UniProtKB: P00519   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6096 (3-quinolinecarbonitrile 24 | 4-[(2,4-Dichloro-5-me...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C27H30Cl2N4O3/c1-33-8-6-17(7-9-33)5-4-10-36-26-13-22-19(11-25(26)35-3)27(18(15-30)16-31-22)32-23-14-24(34-2)21(29)12-20(23)28/h11-14,16-17H,4-10H2,1-3H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM4552 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6094 (3-quinolinecarbonitrile 18 | 4-[(2,4-Dichloro-5-me...) Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-15(5-7-31)14-34-24-10-20-17(8-23(24)33-3)25(16(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,15H,4-7,14H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6095 (3-quinolinecarbonitrile 23 | 4-[(2,4-Dichloro-5-me...) Show SMILES COc1cc(Nc2c(cnc3cc(OCCC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C26H28Cl2N4O3/c1-32-7-4-16(5-8-32)6-9-35-25-12-21-18(10-24(25)34-3)26(17(14-29)15-30-21)31-22-13-23(33-2)20(28)11-19(22)27/h10-13,15-16H,4-9H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6102 (4-[(2-Chloro-5-methoxyphenyl)amino]-6-methoxy-7-[(...) Show SMILES COc1ccc(Cl)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C25H27ClN4O3/c1-30-8-6-16(7-9-30)15-33-24-12-21-19(11-23(24)32-3)25(17(13-27)14-28-21)29-22-10-18(31-2)4-5-20(22)26/h4-5,10-12,14,16H,6-9,15H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6099 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCN(C)C4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-6-4-5-15(13-31)14-34-24-9-20-17(7-23(24)33-3)25(16(11-28)12-29-20)30-21-10-22(32-2)19(27)8-18(21)26/h7-10,12,15H,4-6,13-14H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097942 (3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6103 (4-phenylamino-3-quinolinecarbonitrile 21 | 6-Metho...) Show SMILES COc1ccc(C)c(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c1 Show InChI InChI=1S/C26H30N4O3/c1-17-5-6-20(31-3)11-22(17)29-26-19(14-27)15-28-23-13-25(24(32-4)12-21(23)26)33-16-18-7-9-30(2)10-8-18/h5-6,11-13,15,18H,7-10,16H2,1-4H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6105 (4-phenylamino-3-quinolinecarbonitrile 23 | 6-Metho...) Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCN(C)CC4)c(OC)cc23)C#N)c(C)cc1C Show InChI InChI=1S/C27H32N4O3/c1-17-10-18(2)24(32-4)12-22(17)30-27-20(14-28)15-29-23-13-26(25(33-5)11-21(23)27)34-16-19-6-8-31(3)9-7-19/h10-13,15,19H,6-9,16H2,1-5H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097956 (3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6101 (3-quinolinecarbonitrile 20 | 4-phenylamino-3-quino...) Show SMILES COc1cc2c(Nc3cc(OC)c(OC)c(OC)c3)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C27H32N4O5/c1-31-8-6-17(7-9-31)16-36-23-13-21-20(12-22(23)32-2)26(18(14-28)15-29-21)30-19-10-24(33-3)27(35-5)25(11-19)34-4/h10-13,15,17H,6-9,16H2,1-5H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6100 (3-quinolinecarbonitrile 19 | 4-[(2,4-Dichloropheny...) Show SMILES COc1cc2c(Nc3ccc(Cl)cc3Cl)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H24Cl2N4O2/c1-30-7-5-15(6-8-30)14-32-23-11-21-18(10-22(23)31-2)24(16(12-27)13-28-21)29-20-4-3-17(25)9-19(20)26/h3-4,9-11,13,15H,5-8,14H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088900 (5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine ...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C18H14N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1-12H,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of PDGF-receptor kinase				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6104 (4-[(2,4-Dimethylphenyl)amino]-6-methoxy-7-[(1-meth...) Show SMILES COc1cc2c(Nc3ccc(C)cc3C)c(cnc2cc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C26H30N4O2/c1-17-5-6-22(18(2)11-17)29-26-20(14-27)15-28-23-13-25(24(31-4)12-21(23)26)32-16-19-7-9-30(3)10-8-19/h5-6,11-13,15,19H,7-10,16H2,1-4H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
McGill University/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of Abl tyrosine kinase				Bioorg Med Chem Lett 13: 3297-300 (2003) BindingDB Entry DOI: 10.7270/Q22B8XFQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097947 (CHEMBL352801 | {3-[4-Amino-5-(3-methoxy-phenyl)-py...) Show SMILES COc1cccc(c1)-c1cn(C2CC(CO)C2)c2ncnc(N)c12 Show InChI InChI=1S/C18H20N4O2/c1-24-14-4-2-3-12(7-14)15-8-22(13-5-11(6-13)9-23)18-16(15)17(19)20-10-21-18/h2-4,7-8,10-11,13,23H,5-6,9H2,1H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097937 (3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC(O)C1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-2-1-3-5-11)9-21(17(15)20-10-19-16)12-6-7-13(22)8-12/h1-5,9-10,12-13,22H,6-8H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088904 ((3-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]p...) Show SMILES COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12 Show InChI InChI=1S/C20H18N4O2/c1-26-16-7-3-5-14(9-16)17-10-24(15-6-2-4-13(8-15)11-25)20-18(17)19(21)22-12-23-20/h2-10,12,25H,11H2,1H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097945 (7-Cyclobutyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(C2CCC2)c2ncnc(N)c12 Show InChI InChI=1S/C17H18N4O/c1-22-13-7-2-4-11(8-13)14-9-21(12-5-3-6-12)17-15(14)16(18)19-10-20-17/h2,4,7-10,12H,3,5-6H2,1H3,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097991 (CHEMBL355019 | {3-[4-Amino-5-(3-hydroxy-phenyl)-py...) Show SMILES COC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H21N5O3/c1-27-16(26)10-23-6-5-13(8-23)24-9-15(12-3-2-4-14(25)7-12)17-18(20)21-11-22-19(17)24/h2-4,7,9,11,13,25H,5-6,8,10H2,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6098 (4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OCC4CCCCN4C)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C25H26Cl2N4O3/c1-31-7-5-4-6-16(31)14-34-24-10-20-17(8-23(24)33-3)25(15(12-28)13-29-20)30-21-11-22(32-2)19(27)9-18(21)26/h8-11,13,16H,4-7,14H2,1-3H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097971 (CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...) Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097968 (3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES CC(C)(C)OC(=O)N1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H25N5O3/c1-21(2,3)29-20(28)25-8-7-14(10-25)26-11-16(13-5-4-6-15(27)9-13)17-18(22)23-12-24-19(17)26/h4-6,9,11-12,14,27H,7-8,10H2,1-3H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088908 (5-(3-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...) Show SMILES COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12 Show InChI InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of PDGF-receptor kinase				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088909 ((4-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1 Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-4-2-1-3-5-14)10-23(19(17)22-12-21-18)15-8-6-13(11-24)7-9-15/h1-10,12,24H,11H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested for inhibition of EGF-receptor tyrosine kinase in intact cells				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097951 (4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-6-12(21)7-5-10)8-20(11-2-1-3-11)16(14)19-9-18-15/h4-9,11,21H,1-3H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM6097 (4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-...) Show SMILES COc1cc(Nc2c(cnc3cc(OC4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl Show InChI InChI=1S/C24H24Cl2N4O3/c1-30-6-4-15(5-7-30)33-23-10-19-16(8-22(23)32-3)24(14(12-27)13-28-19)29-20-11-21(31-2)18(26)9-17(20)25/h8-11,13,15H,4-7H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of Abl kinase				J Med Chem 47: 1599-601 (2004) Article DOI: 10.1021/jm0499458 BindingDB Entry DOI: 10.7270/Q2BP05HD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097936 (7-Cyclobutyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCC1 Show InChI InChI=1S/C16H16N4/c17-15-14-13(11-5-2-1-3-6-11)9-20(12-7-4-8-12)16(14)19-10-18-15/h1-3,5-6,9-10,12H,4,7-8H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097967 (3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1 Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of epidermal growth factor receptor (EGF-R) by tyrosine kinase enzyme activity				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Abl tyrosine kinase				J Med Chem 45: 3772-93 (2002) BindingDB Entry DOI: 10.7270/Q2WW7JD9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097941 (4-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...) Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-5-7-13(22)8-6-11)9-21(12-3-1-2-4-12)17(15)20-10-19-16/h5-10,12,22H,1-4H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097958 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl receptor tyrosine kinase enzyme activity				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM3532 (CHEMBL540068 | CHEMBL7917 | N-(3-chlorophenyl)-6,7...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OC Show InChI InChI=1S/C16H14ClN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
NOVARTIS Limited Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase				J Med Chem 42: 1018-26 (1999) Article DOI: 10.1021/jm980551o BindingDB Entry DOI: 10.7270/Q21835PV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097955 (7-Cyclopentyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CCCC1 Show InChI InChI=1S/C17H18N4/c18-16-15-14(12-6-2-1-3-7-12)10-21(13-8-4-5-9-13)17(15)20-11-19-16/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097962 (2-{3-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2,3-d]p...) Show SMILES NC(=O)CN1CCC(C1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C18H20N6O2/c19-15(26)9-23-5-4-12(7-23)24-8-14(11-2-1-3-13(25)6-11)16-17(20)21-10-22-18(16)24/h1-3,6,8,10,12,25H,4-5,7,9H2,(H2,19,26)(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of epidermal growth factor receptor (EGF-R) in a cellular assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097939 (7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...) Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12 Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50132707 (4-3,3-dimethyltriaz-1-ene-N-[4-methyl-3-(4-pyridin...) Show SMILES CN(C)\N=N\c1ccc(cc1)C(=O)Nc1ccc(C)c(Nc2nccc(n2)-c2cccnc2)c1 Show InChI InChI=1S/C25H24N8O/c1-17-6-9-21(28-24(34)18-7-10-20(11-8-18)31-32-33(2)3)15-23(17)30-25-27-14-12-22(29-25)19-5-4-13-26-16-19/h4-16H,1-3H3,(H,28,34)(H,27,29,30)/b32-31+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
McGill University/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of Abl tyrosine kinase				Bioorg Med Chem Lett 13: 3297-300 (2003) BindingDB Entry DOI: 10.7270/Q22B8XFQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088902 ((3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1 Show InChI InChI=1S/C19H16N4O/c20-18-17-16(14-6-2-1-3-7-14)10-23(19(17)22-12-21-18)15-8-4-5-13(9-15)11-24/h1-10,12,24H,11H2,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097979 (2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of epidermal growth factor receptor (EGF-R) in a cellular assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088898 (2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12 Show InChI InChI=1S/C23H23N5O3/c1-31-18-4-2-3-16(12-18)19-13-28(23-21(19)22(24)26-14-27-23)17-7-5-15(6-8-17)11-20(30)25-9-10-29/h2-8,12-14,29H,9-11H2,1H3,(H,25,30)(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097944 (3-[4-Amino-5-(3-methoxy-phenyl)-pyrrolo[2,3-d]pyri...) Show SMILES COc1cccc(c1)-c1cn(C2CC(C2)C(=O)NCCO)c2ncnc(N)c12 |(14.27,-.7,;13.8,-2.17,;12.3,-2.49,;11.27,-1.34,;9.75,-1.69,;9.28,-3.16,;10.32,-4.29,;11.83,-3.96,;9.85,-5.75,;10.78,-7,;9.87,-8.25,;10.36,-9.71,;9.66,-11.08,;11.04,-11.77,;11.72,-10.39,;11.29,-13.29,;12.72,-13.85,;10.08,-14.26,;10.32,-15.79,;9.13,-16.75,;9.36,-18.27,;8.39,-7.79,;7.05,-8.57,;5.71,-7.79,;5.71,-6.24,;7.05,-5.47,;7.04,-3.93,;8.39,-6.24,)| Show InChI InChI=1S/C20H23N5O3/c1-28-15-4-2-3-12(9-15)16-10-25(19-17(16)18(21)23-11-24-19)14-7-13(8-14)20(27)22-5-6-26/h2-4,9-11,13-14,26H,5-8H2,1H3,(H,22,27)(H2,21,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088899 (2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d...) Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12 Show InChI InChI=1S/C22H23N5O2/c1-29-18-4-2-3-16(11-18)19-13-27(22-20(19)21(23)25-14-26-22)17-7-5-15(6-8-17)12-24-9-10-28/h2-8,11,13-14,24,28H,9-10,12H2,1H3,(H2,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097959 (7-{1-[2-(2-Methoxy-ethylamino)-ethyl]-piperidin-4-...) Show SMILES COCCNCCN1CCC(CC1)n1cc(-c2cccc(OC)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H32N6O2/c1-30-13-9-25-8-12-28-10-6-18(7-11-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)26-16-27-23(21)29/h3-5,14-16,18,25H,6-13H2,1-2H3,(H2,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097954 (7-Cyclopentyl-5-(4-methoxy-phenyl)-7H-pyrrolo[2,3-...) Show SMILES COc1ccc(cc1)-c1cn(C2CCCC2)c2ncnc(N)c12 Show InChI InChI=1S/C18H20N4O/c1-23-14-8-6-12(7-9-14)15-10-22(13-4-2-3-5-13)18-16(15)17(19)20-11-21-18/h6-11,13H,2-5H2,1H3,(H2,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of v-Abl tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097972 (3-(4-Amino-7-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyri...) Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCNC1 Show InChI InChI=1S/C16H17N5O/c17-15-14-13(10-2-1-3-12(22)6-10)8-21(11-4-5-18-7-11)16(14)20-9-19-15/h1-3,6,8-9,11,18,22H,4-5,7H2,(H2,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088903 (2-((4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-...) Show SMILES COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12 Show InChI InChI=1S/C24H27N5O2/c1-28(12-13-30)11-10-17-6-8-19(9-7-17)29-15-21(18-4-3-5-20(14-18)31-2)22-23(25)26-16-27-24(22)29/h3-9,14-16,30H,10-13H2,1-2H3,(H2,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of EGF-receptor tyrosine kinase				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097946 (3-{4-Amino-7-[1-hydroxymethyl-2-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CC(CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc23)cc1 Show InChI InChI=1S/C22H22N4O3/c1-29-18-7-5-14(6-8-18)9-16(12-27)26-11-19(15-3-2-4-17(28)10-15)20-21(23)24-13-25-22(20)26/h2-8,10-11,13,16,27-28H,9,12H2,1H3,(H2,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase mediated phosphorylation of Fak in IC8.1 fibroblasts				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097974 (2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...) Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12 Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Concentration required for inhibition of v-Abl receptor by tyrosine kinase enzyme assay				Bioorg Med Chem Lett 11: 853-6 (2001) BindingDB Entry DOI: 10.7270/Q29P30XJ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50097938 (3-(4-Amino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-...) Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)C1CC(O)C1 |(8.66,-6.66,;8.68,-8.19,;7.34,-8.98,;7.34,-10.53,;8.68,-11.3,;10.02,-10.52,;11.49,-10.99,;12.4,-9.74,;11.48,-8.49,;11.95,-7.02,;10.91,-5.89,;11.37,-4.43,;12.89,-4.08,;13.92,-5.22,;13.45,-6.7,;10.02,-8.98,;11.98,-12.45,;11.29,-13.82,;12.67,-14.51,;13.17,-15.96,;13.35,-13.13,)| Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-2-1-3-5-10)8-20(11-6-12(21)7-11)16(14)19-9-18-15/h1-5,8-9,11-12,21H,6-7H2,(H2,17,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma Research Curated by ChEMBL					Assay Description Inhibition of p60 c-Src tyrosine kinase activity				Bioorg Med Chem Lett 11: 849-52 (2001) BindingDB Entry DOI: 10.7270/Q2FF3RMF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1/ABL2 (Homo sapiens (Human))	BDBM50088913 (5-(4-Methoxy-phenyl)-7-phenyl-7H-pyrrolo[2,3-d]pyr...) Show SMILES COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12 Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-13(8-10-15)16-11-23(14-5-3-2-4-6-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Tested in vitro for inhibition of non-receptor tyrosine kinase v-Abl				Bioorg Med Chem Lett 10: 945-9 (2000) BindingDB Entry DOI: 10.7270/Q2R78DG4
					More data for this Ligand-Target Pair

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