Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.4 BDBM50165992

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50165992 (CHEMBL3799665) Show SMILES CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C17H20N2OS2/c1-17(2)7-11-14(13(20)8-17)16(21-9-10-3-4-10)22-15(11)12-5-6-18-19-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant LRRK2 G2019S mutant using fluorescein- ERM as substrate after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 26: 2631-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.021 BindingDB Entry DOI: 10.7270/Q2RV0QKC
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50165992 (CHEMBL3799665) Show SMILES CC1(C)Cc2c(sc(SCC3CC3)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C17H20N2OS2/c1-17(2)7-11-14(13(20)8-17)16(21-9-10-3-4-10)22-15(11)12-5-6-18-19-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	172	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay				Bioorg Med Chem Lett 26: 2631-5 (2016) Article DOI: 10.1016/j.bmcl.2016.04.021 BindingDB Entry DOI: 10.7270/Q2RV0QKC
					More data for this Ligand-Target Pair