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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NS3 protein' and Ligand = 'BDBM92897'   
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)
BDBM92897
PNG
(NS3 Protease Inhibitor, 8)
Show SMILES CCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)Oc1cc(nc2cc(OC)ccc12)-c1ccccc1)C(=O)NS(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C42H51N5O9S/c1-8-15-32(38(48)46-57(52,53)30-18-13-10-14-19-30)44-39(49)35-23-29(25-47(35)40(50)37(26(2)3)45-41(51)56-42(4,5)6)55-36-24-33(27-16-11-9-12-17-27)43-34-22-28(54-7)20-21-31(34)36/h9-14,16-22,24,26,29,32,35,37H,8,15,23,25H2,1-7H3,(H,44,49)(H,45,51)(H,46,48)/t29-,32+,35+,37+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
170n/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