BindingDB logo
myBDB logout

BDBM50087781 3-{3-Carbamoyl-5-[4-(2-cyano-phenyl)-piperazin-1-ylmethyl]-phenyl}-acrylic acid ethyl ester::CHEMBL44888

SMILES: CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccc2C#N)cc(c1)C(N)=O

InChI Key: InChIKey=RRZDQHWKSOIWSO-BQYQJAHWSA-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 = 50087781   
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)		BDBM50087781
PNG
(3-{3-Carbamoyl-5-[4-(2-cyano-phenyl)-piperazin-1-y...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccc2C#N)cc(c1)C(N)=O
Show InChI InChI=1S/C24H26N4O3/c1-2-31-23(29)8-7-18-13-19(15-21(14-18)24(26)30)17-27-9-11-28(12-10-27)22-6-4-3-5-20(22)16-25/h3-8,13-15H,2,9-12,17H2,1H3,(H2,26,30)/b8-7+
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 600n/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