BDBM50501750 CHEMBL4096676

SMILES: CC(=O)c1cc(C(N)=O)n(C\C=C\c2ccccc2)c1

InChI Key: InChIKey=ZWENKFFLAIDEEZ-VMPITWQZSA-N

Data: 1 KI

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 = 50501750   

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))	BDBM50501750 (CHEMBL4096676) Show SMILES CC(=O)c1cc(C(N)=O)n(C\C=C\c2ccccc2)c1 Show InChI InChI=1S/C16H16N2O2/c1-12(19)14-10-15(16(17)20)18(11-14)9-5-8-13-6-3-2-4-7-13/h2-8,10-11H,9H2,1H3,(H2,17,20)/b8-5+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.97E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Reversible inhibition of Coxsackievirus B3 C-terminal His6-tagged protease 3C expressed in Escherichia coli BL21(DE3) using N-Dabcyl-KTLEALFQGPPVYE-(...				J Med Chem 61: 1218-1230 (2018) Article DOI: 10.1021/acs.jmedchem.7b01440 BindingDB Entry DOI: 10.7270/Q2N58QDB
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