BDBM50398670 CHEMBL2178132::US8802674, 297

SMILES: CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F

InChI Key: InChIKey=VAHWMDOBYWCXJU-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 = 50398670   

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))	BDBM50398670 (CHEMBL2178132 | US8802674, 297) Show SMILES CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F Show InChI InChI=1S/C18H19F4N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-12-4-3-10(13(19)14(12)29-2)16(28)27-5-7-30-8-6-27/h3-4,9H,5-8H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398670 (CHEMBL2178132 | US8802674, 297) Show SMILES CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F Show InChI InChI=1S/C18H19F4N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-12-4-3-10(13(19)14(12)29-2)16(28)27-5-7-30-8-6-27/h3-4,9H,5-8H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	14.5	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. ...				US Patent US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398670 (CHEMBL2178132 | US8802674, 297) Show SMILES CNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F Show InChI InChI=1S/C18H19F4N5O3/c1-23-15-11(18(20,21)22)9-24-17(26-15)25-12-4-3-10(13(19)14(12)29-2)16(28)27-5-7-30-8-6-27/h3-4,9H,5-8H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of LRRK2 in human HEK293 cells				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair