BDBM50501184 CHEMBL3968719

SMILES: Oc1cc(O)c(CNNC(=O)c2ccccc2)c(O)c1

InChI Key: InChIKey=YVNLYBSIKJWKAC-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 = 50501184   

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
Genome polyprotein (Coxsackievirus B3 (strain Nancy))	BDBM50501184 (CHEMBL3968719) Show SMILES Oc1cc(O)c(CNNC(=O)c2ccccc2)c(O)c1 Show InChI InChI=1S/C14H14N2O4/c17-10-6-12(18)11(13(19)7-10)8-15-16-14(20)9-4-2-1-3-5-9/h1-7,15,17-19H,8H2,(H,16,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Inhibition of recombinant Coxsackievirus B3 3C protease expressed in Escherichia coli BL21 (DE3) preincubated for 5 mins followed by addition of NMA-...				Eur J Med Chem 120: 202-16 (2016) Article DOI: 10.1016/j.ejmech.2016.03.085 BindingDB Entry DOI: 10.7270/Q25B05HD
					More data for this Ligand-Target Pair