BDBM50165998 CHEMBL3800405

SMILES: C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12

InChI Key: InChIKey=JQZVEQSNEZKQGU-QMMMGPOBSA-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 = 50165998   

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))	BDBM50165998 (CHEMBL3800405) Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r| Show InChI InChI=1S/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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))	BDBM50165998 (CHEMBL3800405) Show SMILES C[C@H]1CNC(=O)c2c(SCC3CC3)sc(-c3cc[nH]n3)c12 |r| Show InChI InChI=1S/C15H17N3OS2/c1-8-6-16-14(19)12-11(8)13(10-4-5-17-18-10)21-15(12)20-7-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)(H,17,18)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	83	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