BDBM50485814 CHEMBL2164927

SMILES: CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2[nH]ncc2c1

InChI Key: InChIKey=BXSPWNMFTXFZTB-DLQLBYIMSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485814   

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))	BDBM50485814 (CHEMBL2164927) Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1ccc2[nH]ncc2c1 |r| Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(16-21-4-7-24(35)8-5-21)32(45)38-25(9-12-29(36)43)10-13-30(44)48-18-22-6-11-26-23(15-22)17-37-41-26/h4-8,10-11,13-15,17,19,25,27,31H,9,12,16,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-10+/t25-,27+,31+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of School of Life Sciences Curated by ChEMBL					Assay Description Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...				Bioorg Med Chem Lett 22: 6952-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.120 BindingDB Entry DOI: 10.7270/Q2MS3WM3
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