BDBM50573894 CHEMBL4854266

SMILES CCC(CC)OC(=O)N[C@H]1CCCCC\C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)Oc1nc2ccc(OC)cc2nc1C(F)(F)F)C(=O)NS(=O)(=O)C1(C)CC1

InChI Key InChIKey=XJQHANQPVUYQKQ-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50573894   

TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50573894(CHEMBL4854266)
Affinity DataKi:  4.60nMAssay Description:Inhibition of HCV GT-1a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM50573894(CHEMBL4854266)
Affinity DataKi:  840nMAssay Description:Inhibition of HCV GT-3a NS3/4a protease using Ac-DE-D(Edans)-EE-Abu-c-[COO]-AS-K(Dabcy1)-NH2 preincubated for 1 hr followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed