Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.3 BDBM50529570

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)	BDBM50529570 (CHEMBL4476127) Show SMILES Cc1ccccc1CN1CCn2cc(O)c(=O)cc2C1 Show InChI InChI=1S/C16H18N2O2/c1-12-4-2-3-5-13(12)9-17-6-7-18-11-16(20)15(19)8-14(18)10-17/h2-5,8,11,20H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Lieber Institute for Brain Development Curated by ChEMBL					Assay Description Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate ...				ACS Med Chem Lett 10: 1573-1578 (2019) Article DOI: 10.1021/acsmedchemlett.9b00345 BindingDB Entry DOI: 10.7270/Q2HD8047
					More data for this Ligand-Target Pair