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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 = 'BDBM3894'   
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)
BDBM3894
PNG
((4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-...)
Show SMILES CCCN(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)CC)C(C)C)OCc1ccccc1)C(=O)N[C@@H](CC)c1ccccc1 |r|
Show InChI InChI=1S/C47H68N8O12/c1-8-23-55(47(66)50-34(10-3)32-19-15-12-16-20-32)53-44(63)37-24-33(67-27-31-17-13-11-14-18-31)26-54(37)46(65)40(28(4)5)51-45(64)41(29(6)9-2)52-42(61)35(21-22-38(57)58)49-43(62)36(25-39(59)60)48-30(7)56/h11-20,28-29,33-37,40-41H,8-10,21-27H2,1-7H3,(H,48,56)(H,49,62)(H,50,66)(H,51,64)(H,52,61)(H,53,63)(H,57,58)(H,59,60)/t29-,33+,34-,35+,36-,37-,40-,41-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 440n/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