BDBM50533443 CHEMBL4562789

SMILES: CNc1cc2nc(sc2cn1)-c1ccccc1OC

InChI Key: InChIKey=IODLUBXUZTUIOZ-UHFFFAOYSA-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 = 50533443   

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)	BDBM50533443 (CHEMBL4562789) Show SMILES CNc1cc2nc(sc2cn1)-c1ccccc1OC Show InChI InChI=1S/C14H13N3OS/c1-15-13-7-10-12(8-16-13)19-14(17-10)9-5-3-4-6-11(9)18-2/h3-8H,1-2H3,(H,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>8.00E+4	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