Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 372.4 BDBM50450473

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)	BDBM50450473 (CHEMBL4170443) Show SMILES Oc1ccc(c2cccnc12)S(=O)(=O)N1CCC(C1)c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN2O3S/c20-15-5-3-13(4-6-15)14-9-11-22(12-14)26(24,25)18-8-7-17(23)19-16(18)2-1-10-21-19/h1-8,10,14,23H,9,11-12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	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 expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...				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