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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50087783'   
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)		BDBM50087783
PNG
(3-[3-Carbamoyl-5-(4-pyridin-2-yl-piperazin-1-ylmet...)
Show SMILES CCOC(=O)\C=C\c1cc(CN2CCN(CC2)c2ccccn2)cc(c1)C(N)=O
Show InChI InChI=1S/C22H26N4O3/c1-2-29-21(27)7-6-17-13-18(15-19(14-17)22(23)28)16-25-9-11-26(12-10-25)20-5-3-4-8-24-20/h3-8,13-15H,2,9-12,16H2,1H3,(H2,23,28)/b7-6+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/an/a 2.50E+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