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BDBM3890 Azapeptide-based compound 31

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)OCc1ccccc1

InChI Key: InChIKey=YYHBOQQWMBQASJ-YEFARLPMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 3890   
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)		BDBM3890
PNG
(Azapeptide-based compound 31)
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)OCc1ccccc1 |r|
Show InChI InChI=1S/C45H63N7O13/c1-7-21-52(45(63)65-26-31-17-13-10-14-18-31)50-42(60)35-22-32(64-25-30-15-11-9-12-16-30)24-51(35)44(62)38(27(3)4)48-43(61)39(28(5)8-2)49-40(58)33(19-20-36(54)55)47-41(59)34(23-37(56)57)46-29(6)53/h9-18,27-28,32-35,38-39H,7-8,19-26H2,1-6H3,(H,46,53)(H,47,59)(H,48,61)(H,49,58)(H,50,60)(H,54,55)(H,56,57)/t28-,32+,33+,34-,35-,38-,39-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 800n/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