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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HCV NS3-NS4A Serine Proteinase' and Ligand = 'BDBM17880'   
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
HCV NS3-NS4A Serine Proteinase


(Hepatitis C virus (HCV genotype 1a, isolate H))
BDBM17880
PNG
(Ketoamide inhibitor, 10 | tert-butyl N-{1-[(1R,5S)...)
Show SMILES CC(C)(C)OC(=O)NC(C(=O)N1C[C@H]2[C@@H](C1C(=O)NC(C(=O)C(N)=O)C(C)(C)C)C2(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C26H44N4O6/c1-23(2,3)17(16(31)19(27)32)28-20(33)15-14-13(26(14,10)11)12-30(15)21(34)18(24(4,5)6)29-22(35)36-25(7,8)9/h13-15,17-18H,12H2,1-11H3,(H2,27,32)(H,28,33)(H,29,35)/t13-,14-,15?,17?,18?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>6.90E+4>-24.1n/an/an/an/an/a6.530



Schering-Plough Research Institute



Assay Description
Proteolytic cleavage of the ester linkage between the Nva (L-norvaline) and the chromophore (PAP) was monitored for change in absorbance at 370 nm. I...


J Med Chem 50: 2310-8 (2007)


Article DOI: 10.1021/jm060173k
BindingDB Entry DOI: 10.7270/Q27D2SDK
More data for this
Ligand-Target Pair