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BDBM50087774 3-[3-Carbamoyl-5-(4-pyrimidin-2-yl-piperazin-1-ylmethyl)-phenyl]-acrylic acid ethyl ester::CHEMBL44805

SMILES: CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ncccn2)cc(c1)C(N)=O

InChI Key: InChIKey=LXPHSQXYWQAJQK-SNAWJCMRSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087774   
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)		BDBM50087774
PNG
(3-[3-Carbamoyl-5-(4-pyrimidin-2-yl-piperazin-1-ylm...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ncccn2)cc(c1)C(N)=O
Show InChI InChI=1S/C21H25N5O3/c1-2-29-19(27)5-4-16-12-17(14-18(13-16)20(22)28)15-25-8-10-26(11-9-25)21-23-6-3-7-24-21/h3-7,12-14H,2,8-11,15H2,1H3,(H2,22,28)/b5-4+
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 1.00E+3n/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