BDBM50448125 CHEMBL3122106::US9212186, 17

SMILES: CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F

InChI Key: InChIKey=LLTDZFXQHNQWKA-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50448125   

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))	BDBM50448125 (CHEMBL3122106 | US9212186, 17) Show SMILES CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F Show InChI InChI=1S/C12H13F3N6O/c1-16-10-7(12(13,14)15)4-17-11(20-10)19-8-5-18-21-2-3-22-6-9(8)21/h4-5H,2-3,6H2,1H3,(H2,16,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 3...				US Patent US9212186 (2015) BindingDB Entry DOI: 10.7270/Q2NS0SPX
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50448125 (CHEMBL3122106 | US9212186, 17) Show SMILES CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F Show InChI InChI=1S/C12H13F3N6O/c1-16-10-7(12(13,14)15)4-17-11(20-10)19-8-5-18-21-2-3-22-6-9(8)21/h4-5H,2-3,6H2,1H3,(H2,16,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin)				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50448125 (CHEMBL3122106 | US9212186, 17) Show SMILES CNc1nc(Nc2cnn3CCOCc23)ncc1C(F)(F)F Show InChI InChI=1S/C12H13F3N6O/c1-16-10-7(12(13,14)15)4-17-11(20-10)19-8-5-18-21-2-3-22-6-9(8)21/h4-5H,2-3,6H2,1H3,(H2,16,17,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 (unknown origin) phosphorylation by cell-based assay				J Med Chem 57: 921-36 (2014) Article DOI: 10.1021/jm401654j BindingDB Entry DOI: 10.7270/Q2N0181N
					More data for this Ligand-Target Pair