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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50087767'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Genome polyprotein


(Human rhinovirus B)
BDBM50087767
PNG
(3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ...)
Show SMILES CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
Show InChI InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for irreversible inhibition of Human Rhinovirus (HRV) 3C Protease.


J Med Chem 43: 1670-83 (2000)


BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50087767
PNG
(3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ...)
Show SMILES CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N
Show InChI InChI=1S/C13H12N2O3/c1-2-18-13(17)11(8-14)7-9-4-3-5-10(6-9)12(15)16/h3-7H,2H2,1H3,(H2,15,16)/b11-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Antiviral activity using H1HeLa cells (ATCC) infected with HRV-14


J Med Chem 43: 1670-83 (2000)


BindingDB Entry DOI: 10.7270/Q2GX49ST
More data for this
Ligand-Target Pair