BDBM50501208 CHEMBL3914895

SMILES: CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NNCc1ccc(O)c(O)c1O

InChI Key: InChIKey=CDUXXHWIBXCQBH-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 = 50501208   

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
3C-like proteinase (CVB3 3Cpro) (Coxsackievirus B3 (strain Nancy))	BDBM50501208 (CHEMBL3914895) Show SMILES CC(C)(C)OC(=O)NC(Cc1ccc(O)cc1)C(=O)NNCc1ccc(O)c(O)c1O Show InChI InChI=1S/C21H27N3O7/c1-21(2,3)31-20(30)23-15(10-12-4-7-14(25)8-5-12)19(29)24-22-11-13-6-9-16(26)18(28)17(13)27/h4-9,15,22,25-28H,10-11H2,1-3H3,(H,23,30)(H,24,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	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