BDBM50166002 CHEMBL3799457

SMILES: O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1

InChI Key: InChIKey=PCAATDCSDQWRQP-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 = 50166002   

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))	BDBM50166002 (CHEMBL3799457) Show SMILES O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1 Show InChI InChI=1S/C16H19N3OS2/c20-15-13-11(6-8-17-15)14(12-7-9-18-19-12)22-16(13)21-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,17,20)(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	372	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))	BDBM50166002 (CHEMBL3799457) Show SMILES O=C1NCCc2c(sc(SC3CCCCC3)c12)-c1cc[nH]n1 Show InChI InChI=1S/C16H19N3OS2/c20-15-13-11(6-8-17-15)14(12-7-9-18-19-12)22-16(13)21-10-4-2-1-3-5-10/h7,9-10H,1-6,8H2,(H,17,20)(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	919	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