BDBM50533440 CHEMBL4470227

SMILES: C1Cc2cccc(c2O1)-c1nc2ccncc2s1

InChI Key: InChIKey=FMXQNSZQHZPGLA-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 = 50533440   

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)	BDBM50533440 (CHEMBL4470227) Show SMILES C1Cc2cccc(c2O1)-c1nc2ccncc2s1 Show InChI InChI=1S/C14H10N2OS/c1-2-9-5-7-17-13(9)10(3-1)14-16-11-4-6-15-8-12(11)18-14/h1-4,6,8H,5,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70E+3	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