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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50087770'   
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)
BDBM50087770
PNG
(3-(3-Oxo-3-pyridin-2-yl-propenyl)-benzamide | CHEM...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C15H12N2O2/c16-15(19)12-5-3-4-11(10-12)7-8-14(18)13-6-1-2-9-17-13/h1-10H,(H2,16,19)/b8-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity 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)
BDBM50087770
PNG
(3-(3-Oxo-3-pyridin-2-yl-propenyl)-benzamide | CHEM...)
Show SMILES NC(=O)c1cccc(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C15H12N2O2/c16-15(19)12-5-3-4-11(10-12)7-8-14(18)13-6-1-2-9-17-13/h1-10H,(H2,16,19)/b8-7+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 5.00E+4n/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