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BDBM50075609 (E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbonylamino-7-methyl-4-oxo-octanoylamino)-6-carbamoyl-hex-2-enoic acid ethyl ester::CHEMBL20174

SMILES: CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SCc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=GFCDJOSRIBJPPT-AKBJHRGISA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075609   
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)
BDBM50075609
PNG
((E)-(S)-4-((2R,5S)-2-Benzyl-5-benzylsulfanylcarbon...)
Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)[C@@H](CC(=O)[C@H](CC(C)C)NC(=O)SCc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C33H43N3O6S/c1-4-42-31(39)18-16-27(15-17-30(34)38)35-32(40)26(20-24-11-7-5-8-12-24)21-29(37)28(19-23(2)3)36-33(41)43-22-25-13-9-6-10-14-25/h5-14,16,18,23,26-28H,4,15,17,19-22H2,1-3H3,(H2,34,38)(H,35,40)(H,36,41)/b18-16+/t26-,27+,28+/m1/s1
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 680n/an/an/an/a



Agouron Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Increased percentage of formazan production in drug treated virus infected cells to equal 50% of control drug free uninfected cells on serotype 14


J Med Chem 42: 1203-12 (1999)


Article DOI: 10.1021/jm980537b
BindingDB Entry DOI: 10.7270/Q2RN3701
More data for this
Ligand-Target Pair