Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL1' and Ligand = 'BDBM50221549' 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)) | BDBM50221549
(4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Abl |
Bioorg Med Chem Lett 17: 5812-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221549
(4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50221549
(4-(7-(6-chloro-2-fluoro-3-hydroxyphenyl)-5-methylb...)Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)ccc(O)c1F Show InChI InChI=1S/C26H26ClFN6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| | 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |