BDBM257342 US9493440, 186

SMILES: CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)(=O)CC1

InChI Key: InChIKey=MDKGNWNRCQBIGY-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 257342   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM257342 (US9493440, 186) Show SMILES CC1(CC1)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C19H20FN5O3S/c1-19(2-3-19)28-16-8-12-14(9-13(16)20)23-24-18(12)15-10-17(22-11-21-15)25-4-6-29(26,27)7-5-25/h8-11H,2-7H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	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 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...				US Patent US9493440 (2016) BindingDB Entry DOI: 10.7270/Q2668C4X
					More data for this Ligand-Target Pair