BDBM50501183 CHEMBL3930170

SMILES: Oc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1O

InChI Key: InChIKey=KPXZBCSVLVUSML-FRKPEAEDSA-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 = 50501183   

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))	BDBM50501183 (CHEMBL3930170) Show SMILES Oc1ccc(\C=N\NC(=O)c2ccc(Br)cc2)c(O)c1O Show InChI InChI=1S/C14H11BrN2O4/c15-10-4-1-8(2-5-10)14(21)17-16-7-9-3-6-11(18)13(20)12(9)19/h1-7,18-20H,(H,17,21)/b16-7+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	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