BDBM50501179 CHEMBL3930870

SMILES: Oc1ccc(\C=N\NC(=O)CCc2ccc(F)cc2)c(O)c1O

InChI Key: InChIKey=JEQRBHYJOGFFFE-GIJQJNRQSA-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 = 50501179   

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))	BDBM50501179 (CHEMBL3930870) Show SMILES Oc1ccc(\C=N\NC(=O)CCc2ccc(F)cc2)c(O)c1O Show InChI InChI=1S/C16H15FN2O4/c17-12-5-1-10(2-6-12)3-8-14(21)19-18-9-11-4-7-13(20)16(23)15(11)22/h1-2,4-7,9,20,22-23H,3,8H2,(H,19,21)/b18-9+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	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