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BDBM50485807 CHEMBL2164928

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)OCc1cn2cccc(C)c2n1

InChI Key: InChIKey=SEJNFOSFYHJHLQ-VLBJTZDPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485807   
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))		BDBM50485807
PNG
(CHEMBL2164928)
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)OCc1cn2cccc(C)c2n1 |r|
Show InChI InChI=1S/C35H40FN7O7/c1-20(2)31(41-34(47)28-16-22(4)50-42-28)35(48)40-27(17-23-7-9-24(36)10-8-23)33(46)39-25(11-13-29(37)44)12-14-30(45)49-19-26-18-43-15-5-6-21(3)32(43)38-26/h5-10,12,14-16,18,20,25,27,31H,11,13,17,19H2,1-4H3,(H2,37,44)(H,39,46)(H,40,48)(H,41,47)/b14-12+/t25-,27+,31+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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