Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 299.3 BDBM50450451

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

Found 1 hit 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
Lanosterol synthase (Rattus norvegicus)	BDBM50450451 (CHEMBL4171794) Show SMILES Cc1ccc(cc1)S(=O)(=O)c1cc(O)c2ncccc2c1 Show InChI InChI=1S/C16H13NO3S/c1-11-4-6-13(7-5-11)21(19,20)14-9-12-3-2-8-17-16(12)15(18)10-14/h2-10,18H,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of c-terminal hexa-His tagged human MB-COMT (unknown origin)				J Med Chem 61: 9647-9665 (2018) Article DOI: 10.1021/acs.jmedchem.8b01126 BindingDB Entry DOI: 10.7270/Q2N300H8
					More data for this Ligand-Target Pair