BDBM50456468 CHEMBL4216488

SMILES: Ic1ccc2NC(=O)C(=NN3CCOCC3)c2c1

InChI Key: InChIKey=YDKFHSUJADCXMR-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 = 50456468   

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))	BDBM50456468 (CHEMBL4216488) Show SMILES Ic1ccc2NC(=O)C(=NN3CCOCC3)c2c1 Show InChI InChI=1S/C12H12IN3O2/c13-8-1-2-10-9(7-8)11(12(17)14-10)15-16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H,14,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 (970 to 2527 residues) expressed in baculovirus expression system using LRRKtide as substr...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) (Homo sapiens (Human))	BDBM50456468 (CHEMBL4216488) Show SMILES Ic1ccc2NC(=O)C(=NN3CCOCC3)c2c1 Show InChI InChI=1S/C12H12IN3O2/c13-8-1-2-10-9(7-8)11(12(17)14-10)15-16-3-5-18-6-4-16/h1-2,7H,3-6H2,(H,14,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas-CSIC Curated by ChEMBL					Assay Description Inhibition of recombinant catalytic human GST-tagged LLRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system using LRRK...				Eur J Med Chem 138: 328-342 (2017) Article DOI: 10.1016/j.ejmech.2017.06.060 BindingDB Entry DOI: 10.7270/Q2V40XTP
					More data for this Ligand-Target Pair