BDBM223541 US9321748, 1

SMILES: CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1

InChI Key: InChIKey=YNLOBEMSGACSSS-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 = 223541   

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 (Homo sapiens (Human))	BDBM223541 (US9321748, 1) Show SMILES CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	910	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human LRRK2 (970 to 2527 residues) G2019S mutant expressed in baculovirus preincubated for 30 mins followed by fluorescein-...				Bioorg Med Chem Lett 27: 4500-4505 (2017) Article DOI: 10.1016/j.bmcl.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SF2ZMN
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S) (Homo sapiens (Human))	BDBM223541 (US9321748, 1) Show SMILES CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	910	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