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 | |