Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196878'   

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))	BDBM196878 (US9212192, 41) Show SMILES NC(=O)c1c(Nc2cc(F)c(N3CCNCC3)c(F)c2)nc(Cc2c(Cl)cccc2Cl)c2nc[nH]c12 Show InChI InChI=1S/C24H21Cl2F2N7O/c25-14-2-1-3-15(26)13(14)10-18-20-21(32-11-31-20)19(23(29)36)24(34-18)33-12-8-16(27)22(17(28)9-12)35-6-4-30-5-7-35/h1-3,8-9,11,30H,4-7,10H2,(H2,29,36)(H,31,32)(H,33,34)	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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