BDBM50166017 CHEMBL3798591

SMILES: CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12

InChI Key: InChIKey=NNFXKYNGUIOPBJ-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 = 50166017   

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))	BDBM50166017 (CHEMBL3798591) Show SMILES CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12 Show InChI InChI=1S/C13H13N3OS2/c1-18-12-9-7(6-13(3-4-13)15-11(9)17)10(19-12)8-2-5-14-16-8/h2,5H,3-4,6H2,1H3,(H,14,16)(H,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+3	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))	BDBM50166017 (CHEMBL3798591) Show SMILES CSc1sc(-c2cc[nH]n2)c2CC3(CC3)NC(=O)c12 Show InChI InChI=1S/C13H13N3OS2/c1-18-12-9-7(6-13(3-4-13)15-11(9)17)10(19-12)8-2-5-14-16-8/h2,5H,3-4,6H2,1H3,(H,14,16)(H,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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