BDBM50398673 CHEMBL2178129

SMILES: CNc1nc(Nc2cc(C)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F

InChI Key: InChIKey=CGELVESSCKWNHU-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50398673   

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))	BDBM50398673 (CHEMBL2178129) Show SMILES CNc1nc(Nc2cc(C)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H19ClF3N5O2/c1-10-7-14(13(19)8-11(10)16(28)27-3-5-29-6-4-27)25-17-24-9-12(18(20,21)22)15(23-2)26-17/h7-9H,3-6H2,1-2H3,(H2,23,24,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	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 (LRRK2) (Homo sapiens (Human))	BDBM50398673 (CHEMBL2178129) Show SMILES CNc1nc(Nc2cc(C)c(cc2Cl)C(=O)N2CCOCC2)ncc1C(F)(F)F Show InChI InChI=1S/C18H19ClF3N5O2/c1-10-7-14(13(19)8-11(10)16(28)27-3-5-29-6-4-27)25-17-24-9-12(18(20,21)22)15(23-2)26-17/h7-9H,3-6H2,1-2H3,(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	43	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