BDBM50180952 CHEMBL3818350

SMILES: CCN1C(=O)S\C(=C\c2cc(O)c(O)c(c2)[N+]([O-])=O)C1=O

InChI Key: InChIKey=RFQWFOYXIFPCHK-WEVVVXLNSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50180952   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol synthase (Rattus norvegicus)	BDBM50180952 (CHEMBL3818350) Show SMILES CCN1C(=O)S\C(=C\c2cc(O)c(O)c(c2)[N+]([O-])=O)C1=O Show InChI InChI=1S/C12H10N2O6S/c1-2-13-11(17)9(21-12(13)18)5-6-3-7(14(19)20)10(16)8(15)4-6/h3-5,15-16H,2H2,1H3/b9-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Caprotec Bioanalytics GmbH Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged soluble COMT expressed in Escherichia coli BL21 using aesculetin as substrate after 60 mins by microplate ...				J Med Chem 59: 4664-75 (2016) BindingDB Entry DOI: 10.7270/Q2WD42HW
					More data for this Ligand-Target Pair