Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 324.2 BDBM50529580

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)	BDBM50529580 (CHEMBL4556206) Show SMILES Oc1cn2CCN(Cc3ccccc3C(F)(F)F)Cc2cc1=O Show InChI InChI=1S/C16H15F3N2O2/c17-16(18,19)13-4-2-1-3-11(13)8-20-5-6-21-10-15(23)14(22)7-12(21)9-20/h1-4,7,10,23H,5-6,8-9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	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
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