BDBM50456466 CHEMBL4206138

SMILES: Clc1ccc2NC(=O)C(=NN3CCCCC3)c2c1

InChI Key: InChIKey=DUXWOSJPHSUAGR-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 = 50456466   

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))	BDBM50456466 (CHEMBL4206138) Show SMILES Clc1ccc2NC(=O)C(=NN3CCCCC3)c2c1 Show InChI InChI=1S/C13H14ClN3O/c14-9-4-5-11-10(8-9)12(13(18)15-11)16-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,15,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	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))	BDBM50456466 (CHEMBL4206138) Show SMILES Clc1ccc2NC(=O)C(=NN3CCCCC3)c2c1 Show InChI InChI=1S/C13H14ClN3O/c14-9-4-5-11-10(8-9)12(13(18)15-11)16-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H,15,16,18)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	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