Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.2 BDBM50167092

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)	BDBM50167092 (CHEMBL3797584) Show SMILES Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccncc1 Show InChI InChI=1S/C15H11N3O2/c19-13-4-8-18(10-14(13)20)15-9-12(3-7-17-15)11-1-5-16-6-2-11/h1-10,20H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	672	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...				Bioorg Med Chem Lett 26: 2952-2956 (2016) Article DOI: 10.1016/j.bmcl.2016.03.095 BindingDB Entry DOI: 10.7270/Q2TM7D1B
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