Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196856'   

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))	BDBM196856 (US9212192, 19) Show SMILES COc1cc(ccc1Nc1nc(Cc2ccccc2Cl)n2ccnc2c1C(N)=O)N1CCNCC1 Show InChI InChI=1S/C25H26ClN7O2/c1-35-20-15-17(32-11-8-28-9-12-32)6-7-19(20)30-24-22(23(27)34)25-29-10-13-33(25)21(31-24)14-16-4-2-3-5-18(16)26/h2-7,10,13,15,28,30H,8-9,11-12,14H2,1H3,(H2,27,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.4	25
AbbVie Inc. US Patent					Assay Description ALK kinase assays were conducted with the indicated final concentrations unless otherwise specified. In 384 well black plates (Axygen), 8 ul of compo...				US Patent US9212192 (2015) BindingDB Entry DOI: 10.7270/Q2D79971
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