BDBM178090 5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione::Shikonin::Shikonin (7b)

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#8])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O

InChI Key InChIKey=NEZONWMXZKDMKF-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 178090   

TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
North-West University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataIC50:  1.50E+3nMAssay Description:The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAmine oxidase(Homo sapiens (Human))
North-West University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataIC50:  1.01E+3nMAssay Description:The protocol for measuring IC50 values for the inhibition of MAO-A and MAO-B has been reported in detail in a recent publication (26). The recombinan...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataIC50:  1.58E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataEC50:  4.67E+3nMAssay Description:To further substantiate the enzymatic inhibition results in vitro, we evaluated whether these compounds could prevent viral replication in cell-based...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM178090(5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...)
Affinity DataIC50:  1.58E+4nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair