BDBM50287594 Asunaprevir::BMS 650032::BMS-650032

SMILES CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O)C3CC3)Oc4c5cc(ccc5c(cn4)OC)Cl)NC(=O)OC(C)(C)C

InChI Key InChIKey=XRWSZZJLZRKHHD-UHFFFAOYSA-N

Data  2 IC50  2 EC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50287594   

TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50287594(Asunaprevir | BMS 650032 | BMS-650032)
Affinity DataEC50:  1.20nMAssay Description:Inhibition of HCV genotype 1b Con1 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by luci...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Bristol-Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50287594(Asunaprevir | BMS 650032 | BMS-650032)
Affinity DataEC50:  4nMAssay Description:Inhibition of HCV genotype 1a H77 NS3 protease infected in human HuH7 replicon cells assessed as reduction in viral replication after 4 days by lucif...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50287594(Asunaprevir | BMS 650032 | BMS-650032)
Affinity DataIC50: 1nMAssay Description:Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein/Non-structural protein 4A(Hepacivirus C)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50287594(Asunaprevir | BMS 650032 | BMS-650032)
Affinity DataIC50: 1nMAssay Description:Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)