Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196852'   

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))	BDBM196852 (US9212192, 15) Show SMILES NC(=O)c1c(Nc2cc(F)c(cc2F)N2CCNCC2)nc(Cc2c(Cl)cccc2Cl)n2cnnc12 Show InChI InChI=1S/C23H20Cl2F2N8O/c24-13-2-1-3-14(25)12(13)8-19-32-22(20(21(28)36)23-33-30-11-35(19)23)31-17-9-16(27)18(10-15(17)26)34-6-4-29-5-7-34/h1-3,9-11,29,31H,4-8H2,(H2,28,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-51.4	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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