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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NS3 protein' and Ligand = 'BDBM92892'   
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
NS3 protein


(Hepatitis C virus)
BDBM92892
PNG
(NS3 Protease Inhibitor, 3)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)CCC(O)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C32H38N4O12S/c37-23(13-16-26(42)43)36-28(27(18-7-3-1-4-8-18)19-9-5-2-6-10-19)31(46)34-21(12-15-25(40)41)29(44)33-20(11-14-24(38)39)30(45)35-22(17-49)32(47)48/h1-10,20-22,27-28,49H,11-17H2,(H,33,44)(H,34,46)(H,35,45)(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,47,48)/t20-,21-,22-,28-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
520n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Analysis of the inhibition activation of flNS3 by the inhibitors was performed with the standard assay, allowing the inhibitor to preincubate with NS...


Biochemistry 48: 11592-602 (2009)


Article DOI: 10.1021/bi9016928
BindingDB Entry DOI: 10.7270/Q2F47MR0
More data for this
Ligand-Target Pair