BDBM525152 Ms-QFR-kbt::N-0385::US10988505, Example 2

SMILES CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1

InChI Key InChIKey=JTHVOFMYRRNGPA-ACRUOGEOSA-N

Data  7 KI  1 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 525152   

TargetSerine protease hepsin(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi:  0.570nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTransmembrane protease serine 6(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi:  2.60nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTransmembrane protease serine 6(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi:  2.63nMAssay Description:Enzymatic assays and Ki determination were performed at room temperature in an assay buffer containing 50 mM Tris-HCl, 150 mM NaCl and 500 μg/mL...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSerine protease hepsin(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi:  27nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi:  9.27E+3nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetProcathepsin L(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi: >1.00E+4nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetFurin(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataKi: >1.00E+4nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTransmembrane protease serine 2(Homo sapiens (Human))
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataIC50:  1.90nMAssay Description:Vero E6 cells were transfected with mock (pcDNA3.1), TMPRSS2 (pcDNA3.1/TMPRSS2 Uniprot: O15393-1), or TMPRSS2-S441A (pcDNA3.1/TMPRSS2-S441A) using Li...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
University Of British Columbia

LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataEC50:  2.80nMAssay Description:Intracellular dose response (EC50 values) for selected compounds against SARS-CoV-2 were determined by pre-treating Calu-3 cells for three hr with se...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHemagglutinin()
SociÉTÉ

US Patent
LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataEC50:  1.56nMAssay Description:The ability of the tested compound to block influenza virus replication (PR8 and X31) in Calu-3 human bronchial epithelial cells was evaluated as des...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetHemagglutinin(Influenza A virus (strain A/X-31 H3N2))
SociÉTÉ

US Patent
LigandPNGBDBM525152(Ms-QFR-kbt | N-0385 | US10988505, Example 2)
Affinity DataEC50:  9.33nMAssay Description:The ability of the tested compound to block influenza virus replication (PR8 and X31) in Calu-3 human bronchial epithelial cells was evaluated as des...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent