BDBM257161 BDBM257389::US9493440, 1

SMILES: CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1

InChI Key: InChIKey=JHYVPQOVIVDZRZ-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 = 257161   

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))	BDBM257161 (BDBM257389 | US9493440, 1) Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 Show InChI InChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)	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
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM257161 (BDBM257389 | US9493440, 1) Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1 Show InChI InChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.88	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