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 = 'BDBM239533'   

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))	BDBM239533 (US9416126, U17) Show SMILES O=C1CCCC(=C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 |c:5| Show InChI InChI=1S/C21H21N5O2/c27-16-3-1-2-14(10-16)15-4-5-18-17(11-15)21(25-24-18)19-12-20(23-13-22-19)26-6-8-28-9-7-26/h4-5,10-13H,1-3,6-9H2,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	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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