Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196899'   

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))	BDBM196899 (US9212192, 62) Show SMILES COc1cc(ccc1Nc1nc(Cc2cccc(Cl)c2Cl)n2cnnc2c1C(N)=O)C1CCNCC1 Show InChI InChI=1S/C25H25Cl2N7O2/c1-36-19-11-15(14-7-9-29-10-8-14)5-6-18(19)31-24-21(23(28)35)25-33-30-13-34(25)20(32-24)12-16-3-2-4-17(26)22(16)27/h2-6,11,13-14,29,31H,7-10,12H2,1H3,(H2,28,35)	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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