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BDBM50110153 (S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4,4-difluoro-butyrylamino]-5,5-difluoro-2-oxo-pentanoic acid::CHEMBL160018

SMILES: CC(C)(C)OC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O

InChI Key: InChIKey=AOGRPVCFUNCMEO-GUBZILKMSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50110153   
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


(Hepatitis C virus (HCV))		BDBM50110153
PNG
((S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-car...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(F)F)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O
Show InChI InChI=1S/C19H27F4N3O9/c1-19(2,3)35-18(34)26-8(4-5-13(27)28)15(30)25-10(7-12(22)23)16(31)24-9(6-11(20)21)14(29)17(32)33/h8-12H,4-7H2,1-3H3,(H,24,31)(H,25,30)(H,26,34)(H,27,28)(H,32,33)/t8-,9-,10-/m0/s1
PDB

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B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 300n/an/an/an/an/an/a



IRBM, MRL Rome

Curated by ChEMBL


Assay Description
Inhibition to hepatitis C virus (HCV) NS3/NS4A serine protease

Bioorg Med Chem Lett 12: 705-8 (2002)


BindingDB Entry DOI: 10.7270/Q24X572V
More data for this
Ligand-Target Pair