Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.4 BDBM50526883Purchase

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

Found 4 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 [G2019S] (Homo sapiens (Human))	US11912678, Compound 7 (CHEMBL4455001) Show SMILES CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1 Show InChI InChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50526883 (CHEMBL4455001) Show SMILES CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1 Show InChI InChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
CSIC Curated by ChEMBL					Assay Description Inhibition of human GST-tagged LRRK2 G2019S mutant (970 to 2527 residues) expressed in baculovirus expression system assessed as reduction in ADP for...				J Med Chem 63: 2638-2655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01752 BindingDB Entry DOI: 10.7270/Q2G73J5C
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50526883 (CHEMBL4455001) Show SMILES CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1 Show InChI InChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
CSIC Curated by ChEMBL					Assay Description Inhibition of wild type human GST-tagged LRRK2 (970 to 2527 residues) expressed in baculovirus expression system assessed as reduction in ADP formati...				J Med Chem 63: 2638-2655 (2020) Article DOI: 10.1021/acs.jmedchem.9b01752 BindingDB Entry DOI: 10.7270/Q2G73J5C
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	US11912678, Compound 7 (CHEMBL4455001) Show SMILES CCOc1ccc2nc(NC(=O)c3ccc(cc3)N3CCOCC3)sc2c1 Show InChI InChI=1S/C20H21N3O3S/c1-2-26-16-7-8-17-18(13-16)27-20(21-17)22-19(24)14-3-5-15(6-4-14)23-9-11-25-12-10-23/h3-8,13H,2,9-12H2,1H3,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair