BDBM50060874 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione::1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione::CHEMBL286494::Hypericin::Hyperizin::hipericina::hypericine::hypericum red

SMILES Cc1cc(O)c2c3c1c1c(C)cc(O)c4c1c1c3c3c(c(O)cc(O)c3c2=O)c2c(O)cc(O)c(c12)c4=O

InChI Key InChIKey=BTXNYTINYBABQR-UHFFFAOYSA-N

Data  1 KI  14 IC50

  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 15 hits for monomerid = 50060874   

TargetD(3) dopamine receptor(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataKi:  35nMAssay Description:Binding affinity to dopamine D3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease ATG4B(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  8.90E+3nMAssay Description:Inhibition of ATG4B (unknown origin) using proLC3B as substrate by FRET-LC3 assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetThioredoxin reductase 2, mitochondrial(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  4.90E+4nMAssay Description:Inhibition of rat liver mitochondrial TrxR2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  300nMAssay Description:Inhibition of CRF1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  1.98E+5nMAssay Description:Inhibition of rat liver cytosolic TrxR1 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 2, mitochondrial(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  4.90E+4nMAssay Description:Inhibition of rat liver mitochondrial TrxR2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutathione reductase(Saccharomyces cerevisiae)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  3.67E+3nMAssay Description:Inhibition of yeast glutathione reductase by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
University Of California

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCysteine protease ATG4B(Homo sapiens (Human))
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  5.70E+4nMAssay Description:Inhibition of Atg4B (unknown origin) using YFP-LC3B-EmGFP as substrate after 40 mins by FRET-based assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCorticotropin-releasing factor receptor 1(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  300nMAssay Description:Inhibition of recombinant CRF1 receptor expressed in CHO cells assessed as inhibition of CRF-induced cAMP formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  8.70E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDopamine beta-hydroxylase(Homo sapiens (Human))
Inserm U1182 - Cnrs Umr7645

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of Dopamine beta-hydroxylase (unknown origin) incubated for 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-synuclein(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-lipoxygenase(Bos taurus)
WestfäLische Wilhelms-UniversitäT MüNster

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50: >3.00E+4nMAssay Description:5-LO inhibitory activity was determined by inhibition of LTB4 biosynthesis in bovine polymorphonuclear leukocytes (PMNL)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
University Of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)
Affinity DataIC50:  1.98E+5nMAssay Description:Inhibition of rat liver cytosolic TrxR1 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed