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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)Nc1ccccc1C(=O)OC)C=O

InChI Key: InChIKey=FGHWYSASFBQODN-OHGFCYOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50135441   
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)		BDBM50135441
PNG
(2-[(3R,5S)-5-((S)-1-Formyl-propylcarbamoyl)-1-((R)...)
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)Nc1ccccc1C(=O)OC)C=O
Show InChI InChI=1S/C33H43N7O9/c1-7-20(17-41)36-29(43)25-14-21(49-33(47)37-23-11-9-8-10-22(23)32(46)48-6)16-40(25)31(45)27(19(4)5)39-30(44)26(18(2)3)38-28(42)24-15-34-12-13-35-24/h8-13,15,17-21,25-27H,7,14,16H2,1-6H3,(H,36,43)(H,37,47)(H,38,42)(H,39,44)/t20-,21+,25-,26+,27+/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.50E+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