BDBM257316 US9493440, 160

SMILES: COCCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12

InChI Key: InChIKey=QPTBXXSHFPSHQA-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 = 257316   

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))	BDBM257316 (US9493440, 160) Show SMILES COCCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC3(C)CC3)cc12 Show InChI InChI=1S/C22H27FN6O2/c1-22(3-4-22)31-19-11-15-17(12-16(19)23)26-27-21(15)18-13-20(25-14-24-18)29-7-5-28(6-8-29)9-10-30-2/h11-14H,3-10H2,1-2H3,(H,26,27)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.520	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