Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50369714'   

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))	BDBM50369714 (CHEMBL4159122) Show SMILES CC(C)Oc1cc(C2CCN(CC(=O)NCCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c34)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C56H74ClN9O13S/c1-36(2)79-47-33-41(38(5)32-45(47)62-56-60-34-42(57)52(63-56)61-43-11-7-8-13-48(43)80(72,73)37(3)4)39-16-20-65(21-17-39)35-49(67)59-19-23-75-25-27-77-29-31-78-30-28-76-26-24-74-22-18-58-44-12-9-10-40-51(44)55(71)66(53(40)69)46-14-15-50(68)64(6)54(46)70/h7-13,32-34,36-37,39,46,58H,14-31,35H2,1-6H3,(H,59,67)(H2,60,61,62,63)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length ALK (I1088 to E1409 residues) expressed in mammalian expression system by KINOMEscan assay				Eur J Med Chem 151: 304-314 (2018) Article DOI: 10.1016/j.ejmech.2018.03.071 BindingDB Entry DOI: 10.7270/Q2PG1V9D
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