BindingDB logo
myBDB logout

BDBM50084671 4-{2-(4-Fluoro-benzyl)-7-methyl-5-[(5-methyl-isoxazole-3-carbonyl)-amino]-4-oxo-octanoylamino}-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester(AG7088)::CHEMBL327058

SMILES: CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1)Cc1ccc(F)cc1

InChI Key: InChIKey=QUVSUMVCSBNNNS-SZEOJMJRSA-N

Data: 1 EC50

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 = 50084671   
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
Human rhinovirus A protease


(Human rhinovirus B)		BDBM50084671
PNG
(4-{2-(4-Fluoro-benzyl)-7-methyl-5-[(5-methyl-isoxa...)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)on1)Cc1ccc(F)cc1
Show InChI InChI=1S/C32H41FN4O7/c1-5-43-29(39)11-10-25(17-22-12-13-34-30(22)40)35-31(41)23(16-21-6-8-24(33)9-7-21)18-28(38)26(14-19(2)3)36-32(42)27-15-20(4)44-37-27/h6-11,15,19,22-23,25-26H,5,12-14,16-18H2,1-4H3,(H,34,40)(H,35,41)(H,36,42)/b11-10+/t22-,23+,25+,26-/m0/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 5n/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Effective concentration against human rhinovirus 3C protease.

J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair