BDBM239255 US9416126, D71

SMILES: COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12

InChI Key: InChIKey=VNTLNYTWXNCQOZ-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 = 239255   

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) (Homo sapiens (Human))	BDBM239255 (US9416126, D71) Show SMILES COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12 Show InChI InChI=1S/C21H25FN6O3/c1-13(2)31-18-8-14-16(9-15(18)22)25-26-21(14)17-10-19(24-12-23-17)28-5-4-27(6-7-30-3)20(29)11-28/h8-10,12-13H,4-7,11H2,1-3H3,(H,25,26)	PDB 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
					More data for this Ligand-Target Pair