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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein [1027-1206,R1052K]/[1678-1691]' and Ligand = 'BDBM3908'   
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 [1027-1206,R1052K]/[1678-1691]


(Hepatitis C virus)
BDBM3908
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1)OCc1ccccc1 |r|
Show InChI InChI=1S/C45H61F3N8O12/c1-7-26(4)38(53-39(62)32(18-19-35(58)59)51-40(63)33(21-36(60)61)50-28(6)57)42(65)52-37(25(2)3)43(66)55-22-31(68-23-29-14-10-8-11-15-29)20-34(55)41(64)54-56(24-45(46,47)48)44(67)49-27(5)30-16-12-9-13-17-30/h8-17,25-27,31-34,37-38H,7,18-24H2,1-6H3,(H,49,67)(H,50,57)(H,51,63)(H,52,65)(H,53,62)(H,54,64)(H,58,59)(H,60,61)/t26-,27-,31+,32+,33-,34-,37-,38-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 340n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.



Assay Description
The enzymatic assay was performed in assay buffer containing the enzyme complex (protease and NS4A-derived peptide), substrate DDIVPCSMSYTW/biotin-DD...


J Med Chem 47: 3788-99 (2004)


Article DOI: 10.1021/jm049864b
BindingDB Entry DOI: 10.7270/Q2125QTZ
More data for this
Ligand-Target Pair