Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50159513' 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 |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159513
(CHEMBL3785825)Show SMILES CC(C)N[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159513
(CHEMBL3785825)Show SMILES CC(C)N[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21+ | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017 BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this Ligand-Target Pair | |