BDBM50533445 CHEMBL4531456

SMILES: CC(=O)Nc1ccc(Oc2ccccc2-c2nc3ccncc3s2)cc1

InChI Key: InChIKey=OPOGWEXFOKBMCJ-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50533445   

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
Large T antigen (JC polyomavirus)	BDBM50533445 (CHEMBL4531456) Show SMILES CC(=O)Nc1ccc(Oc2ccccc2-c2nc3ccncc3s2)cc1 Show InChI InChI=1S/C20H15N3O2S/c1-13(24)22-14-6-8-15(9-7-14)25-18-5-3-2-4-16(18)20-23-17-10-11-21-12-19(17)26-20/h2-12H,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibition of helicase activity of JC polyomavirus LTAg (E264 to D628 residues) expressed in Escherichia coli using Cy5/BHQ3 dsDNA pre-incubated for ...				J Med Chem 59: 7138-51 (2016) Article DOI: 10.1021/acs.jmedchem.6b00486
					More data for this Ligand-Target Pair				3D Structure (crystal)