BDBM257380 US9493440, 230

SMILES: CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)CC3)c2c1

InChI Key: InChIKey=RPCSJXBNHTXCLJ-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 = 257380   

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))	BDBM257380 (US9493440, 230) Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCF)CC3)c2c1 Show InChI InChI=1S/C21H25FN6O/c1-21(4-5-21)29-15-2-3-17-16(12-15)20(26-25-17)18-13-19(24-14-23-18)28-10-8-27(7-6-22)9-11-28/h2-3,12-14H,4-11H2,1H3,(H,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	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