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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)N1CCc2ccccc12

InChI Key: InChIKey=LNHYAJUIUHXJAO-IRBJYVHQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 3888   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM3888
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)N1CCc2ccccc12 |r|
Show InChI InChI=1S/C46H64N8O12/c1-7-21-54(46(65)52-22-20-31-16-12-13-17-35(31)52)51-43(62)36-23-32(66-26-30-14-10-9-11-15-30)25-53(36)45(64)39(27(3)4)49-44(63)40(28(5)8-2)50-41(60)33(18-19-37(56)57)48-42(61)34(24-38(58)59)47-29(6)55/h9-17,27-28,32-34,36,39-40H,7-8,18-26H2,1-6H3,(H,47,55)(H,48,61)(H,49,63)(H,50,60)(H,51,62)(H,56,57)(H,58,59)/t28-,32+,33+,34-,36-,39-,40-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.40E+3n/an/an/an/a7.523



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