Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM179003'   

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))	BDBM179003 (US9126931, 407) Show SMILES CC1(C)c2[nH]c3cc(ccc3c2C(=O)c2cc(Cl)c(cc12)N1CCC(CC1)NS(C)(=O)=O)C#N Show InChI InChI=1S/C25H25ClN4O3S/c1-25(2)18-12-21(30-8-6-15(7-9-30)29-34(3,32)33)19(26)11-17(18)23(31)22-16-5-4-14(13-27)10-20(16)28-24(22)25/h4-5,10-12,15,28-29H,6-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.86	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...				US Patent US9126931 (2015) BindingDB Entry DOI: 10.7270/Q22J69N8
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