Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 4813   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244569 (AP24283 | CHEMBL510893 | N-(4-(dimethylphosphoryl)...) Show SMILES Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM82130 (Dasatinib) Show SMILES Cc1nc(cc(n1)N1CCN(CCO)CC1)N=C1NCC(S1)C(=O)Nc1c(C)cccc1Cl |w:16.17| Show InChI InChI=1S/C22H28ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12,17,31H,6-11,13H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM82130 (Dasatinib) Show SMILES Cc1nc(cc(n1)N1CCN(CCO)CC1)N=C1NCC(S1)C(=O)Nc1c(C)cccc1Cl |w:16.17| Show InChI InChI=1S/C22H28ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12,17,31H,6-11,13H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Isoform 1 of Fibronectin (1) (Homo sapiens (Human))	BDBM50244569 (AP24283 | CHEMBL510893 | N-(4-(dimethylphosphoryl)...) Show SMILES Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244527 (9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphospho...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1 Show InChI InChI=1S/C22H20N7OP/c1-31(2,30)17-8-6-16(7-9-17)27-21-20-22(24-13-23-21)29(14-25-20)11-10-15-4-3-5-19-18(15)12-26-28-19/h3-14H,1-2H3,(H,26,28)(H,23,24,27)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244430 (9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...) Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H24N5OP/c1-16-6-5-7-17(2)20(16)12-13-28-15-26-21-22(24-14-25-23(21)28)27-18-8-10-19(11-9-18)30(3,4)29/h5-15H,1-4H3,(H,24,25,27)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50294011 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Isoform 1 of Fibronectin (1) (Homo sapiens (Human))	BDBM50244430 (9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...) Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H24N5OP/c1-16-6-5-7-17(2)20(16)12-13-28-15-26-21-22(24-14-25-23(21)28)27-18-8-10-19(11-9-18)30(3,4)29/h5-15H,1-4H3,(H,24,25,27)/b13-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Isoform 1 of Fibronectin (1) (Homo sapiens (Human))	BDBM50244527 (9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphospho...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1 Show InChI InChI=1S/C22H20N7OP/c1-31(2,30)17-8-6-16(7-9-17)27-21-20-22(24-13-23-21)29(14-25-20)11-10-15-4-3-5-19-18(15)12-26-28-19/h3-14H,1-2H3,(H,26,28)(H,23,24,27)/b11-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50244526 (9-(2-(1H-indol-4-yl)vinyl)-N-(4-(dimethylphosphory...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1 Show InChI InChI=1S/C23H21N6OP/c1-31(2,30)18-8-6-17(7-9-18)28-22-21-23(26-14-25-22)29(15-27-21)13-11-16-4-3-5-20-19(16)10-12-24-20/h3-15,24H,1-2H3,(H,25,26,28)/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50294011 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50293992 ((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(3-(4-methy...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7O/c1-16-3-4-19(7-18(16)5-6-35-15-33-23-11-30-13-31-24(23)35)25(37)34-21-8-20(26(27,28)29)9-22(10-21)36-12-17(2)32-14-36/h3-15H,1-2H3,(H,34,37)/b6-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50293992 ((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(3-(4-methy...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7O/c1-16-3-4-19(7-18(16)5-6-35-15-33-23-11-30-13-31-24(23)35)25(37)34-21-8-20(26(27,28)29)9-22(10-21)36-12-17(2)32-14-36/h3-15H,1-2H3,(H,34,37)/b6-5+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Isoform 1 of Fibronectin (1) (Homo sapiens (Human))	BDBM50244526 (9-(2-(1H-indol-4-yl)vinyl)-N-(4-(dimethylphosphory...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1 Show InChI InChI=1S/C23H21N6OP/c1-31(2,30)18-8-6-17(7-9-18)28-22-21-23(26-14-25-22)29(15-27-21)13-11-16-4-3-5-20-19(16)10-12-24-20/h3-15,24H,1-2H3,(H,25,26,28)/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	198	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50294011 ((E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4c(NC5CC5)ncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H25F3N8O/c1-17-3-4-20(9-19(17)7-8-39-16-36-25-26(37-22-5-6-22)33-14-34-27(25)39)28(41)38-23-10-21(29(30,31)32)11-24(12-23)40-13-18(2)35-15-40/h3-4,7-16,22H,5-6H2,1-2H3,(H,38,41)(H,33,34,37)/b8-7+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>700	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50237710 (4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50244526 (9-(2-(1H-indol-4-yl)vinyl)-N-(4-(dimethylphosphory...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ccc45)cnc23)cc1 Show InChI InChI=1S/C23H21N6OP/c1-31(2,30)18-8-6-17(7-9-18)28-22-21-23(26-14-25-22)29(15-27-21)13-11-16-4-3-5-20-19(16)10-12-24-20/h3-15,24H,1-2H3,(H,25,26,28)/b13-11+	PDB UniProtKB/SwissProt 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
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM82130 (Dasatinib) Show SMILES Cc1nc(cc(n1)N1CCN(CCO)CC1)N=C1NCC(S1)C(=O)Nc1c(C)cccc1Cl |w:16.17| Show InChI InChI=1S/C22H28ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12,17,31H,6-11,13H2,1-2H3,(H,28,32)(H,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50244430 (9-(2,6-dimethylstyryl)-N-(4-(dimethylphosphoryl)ph...) Show SMILES Cc1cccc(C)c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H24N5OP/c1-16-6-5-7-17(2)20(16)12-13-28-15-26-21-22(24-14-25-23(21)28)27-18-8-10-19(11-9-18)30(3,4)29/h5-15H,1-4H3,(H,24,25,27)/b13-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50293992 ((E)-3-(2-(Purin-9-yl)vinyl)-4-methyl-N-(3-(4-methy...) Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(\C=C\n3cnc4cncnc34)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H20F3N7O/c1-16-3-4-19(7-18(16)5-6-35-15-33-23-11-30-13-31-24(23)35)25(37)34-21-8-20(26(27,28)29)9-22(10-21)36-12-17(2)32-14-36/h3-15H,1-2H3,(H,34,37)/b6-5+	PDB UniProtKB/SwissProt 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
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50244569 (AP24283 | CHEMBL510893 | N-(4-(dimethylphosphoryl)...) Show SMILES Cc1ccc2[nH]ncc2c1\C=C\n1cnc2c(Nc3ccc(cc3)P(C)(C)=O)ncnc12 Show InChI InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11-30-14-26-21-22(24-13-25-23(21)30)28-16-5-7-17(8-6-16)32(2,3)31/h4-14H,1-3H3,(H,27,29)(H,24,25,28)/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase ABL1 [T315I] (Homo sapiens (Human))	BDBM50244527 (9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphospho...) Show SMILES CP(C)(=O)c1ccc(Nc2ncnc3n(\C=C\c4cccc5[nH]ncc45)cnc23)cc1 Show InChI InChI=1S/C22H20N7OP/c1-31(2,30)17-8-6-16(7-9-17)27-21-20-22(24-13-23-21)29(14-25-20)11-10-15-4-3-5-19-18(15)12-26-28-19/h3-14H,1-2H3,(H,26,28)(H,23,24,27)/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals Inc					Assay Description In vitro kinase assay using Abl, Abl T315I or Src kinase.				Chem Biol Drug Des 75: 18-28 (2010) Article DOI: 10.1111/j.1747-0285.2009.00905.x BindingDB Entry DOI: 10.7270/Q2MC8XHX
					More data for this Ligand-Target Pair