Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 270.3 BDBM50529579

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)	BDBM50529579 (CHEMBL4454788) Show SMILES Oc1cn2CCN(CCc3ccccc3)Cc2cc1=O Show InChI InChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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 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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