Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196881'   

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))	BDBM196881 (US9212192, 44) Show SMILES NC(=O)c1c(Nc2ccc(N3CCNCC3)c(c2)C(F)(F)F)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C25H22Cl2F3N7O/c26-16-2-1-3-17(27)14(16)11-18-21-22(34-12-33-21)20(23(31)38)24(36-18)35-13-4-5-19(15(10-13)25(28,29)30)37-8-6-32-7-9-37/h1-5,10,12,32H,6-9,11H2,(H2,31,38)(H,33,34)(H,35,36)	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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