BDBM239080 US9416126, A1

SMILES: Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

InChI Key: InChIKey=PLVINOPYHPWDGC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 239080   

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))	BDBM239080 (US9416126, A1) Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 Show InChI InChI=1S/C19H19N7O/c1-25-11-14(10-22-25)13-2-3-16-15(8-13)19(24-23-16)17-9-18(21-12-20-17)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	41	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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM239080 (US9416126, A1) Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 Show InChI InChI=1S/C19H19N7O/c1-25-11-14(10-22-25)13-2-3-16-15(8-13)19(24-23-16)17-9-18(21-12-20-17)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H,23,24)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.31	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 b...				US Patent US9416126 (2016) BindingDB Entry DOI: 10.7270/Q2D50KV9
					More data for this Ligand-Target Pair