BindingDB logo
myBDB logout

BDBM50087767 3-(3-Carbamoyl-phenyl)-2-cyano-acrylic acid ethyl ester::CHEMBL296741

SMILES: CCOC(=O)C(=C\c1cccc(c1)C(N)=O)\C#N

InChI Key: InChIKey=QNKQPNUIHKCGNO-YRNVUSSQSA-N

Data: 1 KI  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 2 hits for monomerid = 50087767   
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)
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+
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
Human rhinovirus A protease


(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+
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