Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM196904'   

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))	BDBM196904 (US9212192, 67) Show SMILES CCNC(=O)c1cn2c(Cc3c(Cl)cccc3Cl)nc(Nc3ccc(cc3OC)N3CCNCC3)c(C(N)=O)c2n1 Show InChI InChI=1S/C28H30Cl2N8O3/c1-3-33-28(40)21-15-38-23(14-17-18(29)5-4-6-19(17)30)36-26(24(25(31)39)27(38)35-21)34-20-8-7-16(13-22(20)41-2)37-11-9-32-10-12-37/h4-8,13,15,32,34H,3,9-12,14H2,1-2H3,(H2,31,39)(H,33,40)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	-45.0	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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