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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NS3 protein' and Ligand = 'BDBM92891'   
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)
BDBM92891
PNG
(NS3 Protease Inhibitor, 2)
Show SMILES OC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)CCC(O)=O)C1CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C33H42N4O10S/c38-26(13-15-28(41)42)37-29(21-7-2-1-3-8-21)32(45)34-23(12-14-27(39)40)30(43)35-24(31(44)36-25(18-48)33(46)47)17-19-10-11-20-6-4-5-9-22(20)16-19/h4-6,9-11,16,21,23-25,29,48H,1-3,7-8,12-15,17-18H2,(H,34,45)(H,35,43)(H,36,44)(H,37,38)(H,39,40)(H,41,42)(H,46,47)/t23-,24-,25-,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
180n/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