Found 5 hits for monomerid = 50293992 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
(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 UniProtKB/TrEMBL
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 | |
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
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
(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 UniProtKB/TrEMBL
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.
Curated by ChEMBL
| Assay Description Inhibition of wild type human Abl kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
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.
Curated by ChEMBL
| Assay Description Inhibition of human Src kinase by TR-FRET assay |
J Med Chem 52: 4743-56 (2009)
Article DOI: 10.1021/jm900166t BindingDB Entry DOI: 10.7270/Q2BC3ZKV |
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 | |