Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM245218'   

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))	BDBM245218 (US9428500, 12) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1 Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114488 BindingDB Entry DOI: 10.7270/Q26Q228W
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM245218 (US9428500, 12) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1 Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114488 BindingDB Entry DOI: 10.7270/Q26Q228W
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM245218 (US9428500, 12) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(COc5ccc(Cl)c(C)c5)cc4)c3c2c1 Show InChI InChI=1S/C36H33ClN4O/c1-24-21-30(12-13-33(24)37)42-23-25-3-5-27(6-4-25)31-15-16-38-36-35(31)32-22-28(9-14-34(32)39-36)26-7-10-29(11-8-26)41-19-17-40(2)18-20-41/h3-16,21-22H,17-20,23H2,1-2H3,(H,38,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	110	n/a	n/a	n/a	n/a	7.5	30
UNIVERSITA DEGLI STUDI DI MILANO—BICOCCA; UNIVERSITE DE GENEVE; UNIVERSITE CLAUDE BERNARD—LYON US Patent					Assay Description GST-tagged recombinant wild-type or L1196M mutated ALK kinase (rALK) was expressed in Sf9 insect cells using the pBacPAK baculovirus vector system (C...				US Patent US9428500 (2016) BindingDB Entry DOI: 10.7270/Q2CR5S8M
					More data for this Ligand-Target Pair