Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196892'   

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))	BDBM196892 (US9212192, 55) Show SMILES CCc1nnc2c(C(N)=O)c(Nc3ccc(cc3Cl)C3CCNCC3)nc(Cc3ccccc3Cl)n12 Show InChI InChI=1S/C26H27Cl2N7O/c1-2-21-33-34-26-23(24(29)36)25(32-22(35(21)26)14-17-5-3-4-6-18(17)27)31-20-8-7-16(13-19(20)28)15-9-11-30-12-10-15/h3-8,13,15,30-31H,2,9-12,14H2,1H3,(H2,29,36)	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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