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BDBM50141217 1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid (S)-5-((S)-1-formyl-propylcarbamoyl)-1-((R)-3-methyl-2-{(R)-3-methyl-2-[(pyrazine-2-carbonyl)-amino]-butyrylamino}-butyryl)-pyrrolidin-3-yl ester::CHEMBL285478

SMILES: CC[C@H](NC(=O)[C@@H]1CC(CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)C1CCc2ccccc2C1)C=O

InChI Key: InChIKey=AQLONSADYDGUDL-YEXMILABSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50141217   
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)		BDBM50141217
PNG
(1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid (...)
Show SMILES CC[C@H](NC(=O)[C@@H]1CC(CN1C(=O)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OC(=O)C1CCc2ccccc2C1)C=O
Show InChI InChI=1S/C35H46N6O7/c1-6-25(19-42)38-32(44)28-16-26(48-35(47)24-12-11-22-9-7-8-10-23(22)15-24)18-41(28)34(46)30(21(4)5)40-33(45)29(20(2)3)39-31(43)27-17-36-13-14-37-27/h7-10,13-14,17,19-21,24-26,28-30H,6,11-12,15-16,18H2,1-5H3,(H,38,44)(H,39,43)(H,40,45)/t24?,25-,26?,28-,29+,30+/m0/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
 890n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding inhibition of hepatitis C virus NS3.4A protease 2 was determined

Bioorg Med Chem Lett 14: 1441-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.022
BindingDB Entry DOI: 10.7270/Q24Q7TD2
More data for this
Ligand-Target Pair