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BDBM50485820 CHEMBL2165220

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)OCc1ccc2cn[nH]c2c1

InChI Key: InChIKey=BFIULEKJMOUYSL-KIUDJDDGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485820   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))		BDBM50485820
PNG
(CHEMBL2165220)
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)OCc1ccc2cn[nH]c2c1 |r|
Show InChI InChI=1S/C34H38FN7O7/c1-19(2)31(40-33(46)28-14-20(3)49-42-28)34(47)39-27(15-21-5-8-24(35)9-6-21)32(45)38-25(10-12-29(36)43)11-13-30(44)48-18-22-4-7-23-17-37-41-26(23)16-22/h4-9,11,13-14,16-17,19,25,27,31H,10,12,15,18H2,1-3H3,(H2,36,43)(H,37,41)(H,38,45)(H,39,47)(H,40,46)/b13-11+/t25-,27+,31+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/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
More data for this
Ligand-Target Pair