Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM127894'   

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 (Homo sapiens (Human))	BDBM127894 (US8791130, 24) Show SMILES CNc1nc(Nc2cc(OC)c(cc2Cl)-c2c(C)nn(C)c2C)ncc1C(F)(F)F |(-1.75,2.87,;-3.08,2.1,;-3.08,.56,;-1.75,-.21,;-1.75,-1.75,;-.41,-2.52,;.92,-1.75,;.92,-.21,;2.25,.56,;2.25,2.1,;.92,2.87,;3.59,-.21,;3.59,-1.75,;2.25,-2.52,;2.25,-4.06,;4.92,.56,;6.38,.08,;6.78,-1.41,;7.29,1.33,;6.38,2.57,;6.78,4.06,;4.92,2.1,;3.59,2.87,;-3.08,-2.52,;-4.42,-1.75,;-4.42,-.21,;-5.75,.56,;-7.29,.56,;-5.75,2.1,;-6.52,-.78,)| Show InChI InChI=1S/C19H20ClF3N6O/c1-9-16(10(2)29(4)28-9)11-6-13(20)14(7-15(11)30-5)26-18-25-8-12(19(21,22)23)17(24-3)27-18/h6-8H,1-5H3,(H2,24,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...				US Patent US8791130 (2014) BindingDB Entry DOI: 10.7270/Q2K9367R
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