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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50084659'   
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


(Hepatitis C virus)
BDBM50084659
PNG
(3-Bromo-5-chloro-N-[5-chloro-2-(1-chloro-naphthale...)
Show SMILES Oc1c(Br)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1Cl
Show InChI InChI=1S/C23H13BrCl3NO3/c24-17-10-14(26)9-16(22(17)29)23(30)28-18-11-13(25)6-8-19(18)31-20-7-5-12-3-1-2-4-15(12)21(20)27/h1-11,29H,(H,28,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Inhibitory concentration against hepatitis C virus NS3 protease


J Med Chem 48: 1-20 (2005)


Article DOI: 10.1021/jm0400101
BindingDB Entry DOI: 10.7270/Q2XP75Q1
More data for this
Ligand-Target Pair
Genome polyprotein


(Human rhinovirus B)
BDBM50084659
PNG
(3-Bromo-5-chloro-N-[5-chloro-2-(1-chloro-naphthale...)
Show SMILES Oc1c(Br)cc(Cl)cc1C(=O)Nc1cc(Cl)ccc1Oc1ccc2ccccc2c1Cl
Show InChI InChI=1S/C23H13BrCl3NO3/c24-17-10-14(26)9-16(22(17)29)23(30)28-18-11-13(25)6-8-19(18)31-20-7-5-12-3-1-2-4-15(12)21(20)27/h1-11,29H,(H,28,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibitory concentration against Protease


J Med Chem 43: 305-41 (2000)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2JD4XH4
More data for this
Ligand-Target Pair