BDBM223548 US9321748, 8

SMILES: COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCN(C)CC1

InChI Key: InChIKey=KYGZWXTXFXRVSC-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 = 223548   

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))	BDBM223548 (US9321748, 8) Show SMILES COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCN(C)CC1 Show InChI InChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...				US Patent US9321748 (2016) BindingDB Entry DOI: 10.7270/Q22R3QHC
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM223548 (US9321748, 8) Show SMILES COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCN(C)CC1 Show InChI InChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	880	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...				US Patent US9321748 (2016) BindingDB Entry DOI: 10.7270/Q22R3QHC
					More data for this Ligand-Target Pair