Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527]' and Ligand = 'BDBM239246'   

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
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] (Homo sapiens (Human))	BDBM239246 (US9416126, D62) Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCO)CC1 Show InChI InChI=1S/C20H25FN6O2/c1-13(2)29-18-9-14-16(10-15(18)21)24-25-20(14)17-11-19(23-12-22-17)27-5-3-26(4-6-27)7-8-28/h9-13,28H,3-8H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.65	n/a	n/a	n/a	n/a	8.5	25
Merck Sharp & Dohme Corp. US Patent					Assay Description a) 400 nl of a 1:2.15 serial dilution of test compound(98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well...				US Patent US9416126 (2016) BindingDB Entry DOI: 10.7270/Q2D50KV9
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