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SMILES: CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1cc(OC)ccc1OC)C=O

InChI Key: InChIKey=PICYMFYLWXIKHG-SJGKJGSCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135445   
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/Non-structural protein 4A


(Hepatitis C virus)		BDBM50135445
PNG
((2,5-Dimethoxy-phenyl)-carbamic acid (3R,5S)-5-((S...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)Nc1cc(OC)ccc1OC)C=O
Show InChI InChI=1S/C33H45N7O9/c1-8-20(17-41)36-30(43)25-14-22(49-33(46)37-23-13-21(47-6)9-10-26(23)48-7)16-40(25)32(45)28(19(4)5)39-31(44)27(18(2)3)38-29(42)24-15-34-11-12-35-24/h9-13,15,17-20,22,25,27-28H,8,14,16H2,1-7H3,(H,36,43)(H,37,46)(H,38,42)(H,39,44)/t20-,22+,25-,27+,28+/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 7.90E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.

Bioorg Med Chem Lett 13: 4059-63 (2003)


BindingDB Entry DOI: 10.7270/Q2028QX4
More data for this
Ligand-Target Pair