Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 350.5 BDBM50026584

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

Found 2 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 (Homo sapiens (Human))	BDBM50026584 (CHEMBL3335349) Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br Show InChI InChI=1S/C15H9BrClNO2/c16-12-6-8(1-4-14(12)19)5-11-10-7-9(17)2-3-13(10)18-15(11)20/h1-7,19H,(H,18,20)/b11-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of recombinant LRRK2 (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiography				Bioorg Med Chem Lett 24: 4630-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.049 BindingDB Entry DOI: 10.7270/Q2DB83GB
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50026584 (CHEMBL3335349) Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)cc1Br Show InChI InChI=1S/C15H9BrClNO2/c16-12-6-8(1-4-14(12)19)5-11-10-7-9(17)2-3-13(10)18-15(11)20/h1-7,19H,(H,18,20)/b11-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of recombinant LRRK2 G2019S mutant (unknown origin) using gamma-32P-ATP assessed as LRRKtide substrate phosphorylation level by autoradiog...				Bioorg Med Chem Lett 24: 4630-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.049 BindingDB Entry DOI: 10.7270/Q2DB83GB
					More data for this Ligand-Target Pair