BDBM50165985 CHEMBL3799606

SMILES: CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1

InChI Key: InChIKey=BGOFIBYKEBLLEM-UHFFFAOYSA-N

Data: 2 KI

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 = 50165985   

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))	BDBM50165985 (CHEMBL3799606) Show SMILES CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C18H22N2O2S/c1-18(2)9-12-15(14(21)10-18)17(22-11-5-3-4-6-11)23-16(12)13-7-8-19-20-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	301	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 (LRRK2) (Homo sapiens (Human))	BDBM50165985 (CHEMBL3799606) Show SMILES CC1(C)Cc2c(sc(OC3CCCC3)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C18H22N2O2S/c1-18(2)9-12-15(14(21)10-18)17(22-11-5-3-4-6-11)23-16(12)13-7-8-19-20-13/h7-8,11H,3-6,9-10H2,1-2H3,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	475	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