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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

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

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[...)copy SMILEScopy InChI
Affinity DataKi:  35nMAssay Description:Binding affinity to dopamine D3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed
TargetCysteine protease ATG4B(Homo sapiens (Human))TBA
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 8.90E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22F7SHMPubMed
TargetThioredoxin reductase 2, mitochondrial(Rattus norvegicus)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of rat liver mitochondrial TrxR2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S4NPubMed
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[...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of CRF1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed
TargetThioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+5nMAssay Description:Inhibition of rat liver cytosolic TrxR1 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S4NPubMed
TargetThioredoxin reductase 2, mitochondrial(Rattus norvegicus)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of rat liver mitochondrial TrxR2 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S4NPubMed
TargetGlutathione reductase(Saccharomyces cerevisiae)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 3.67E+3nMAssay Description:Inhibition of yeast glutathione reductase by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S4NPubMed
TargetIntegrase(Human immunodeficiency virus 1)
University of California

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q27D2VTSPubMed
TargetCysteine protease ATG4B(Homo sapiens (Human))TBA
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FT8P1PPubMed
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[...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Westfalische Wilhelms-Universitat

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 8.70E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H99642PubMed
TargetDopamine beta-hydroxylase(Homo sapiens (Human))TBA
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2WD448KPubMed
TargetAlpha-synuclein(Homo sapiens (Human))TBA
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2H998V9PubMed
Target5-lipoxygenase(Bos taurus)
Westfälische Wilhelms-Universität Münster

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q20R9NJNPubMed
TargetThioredoxin reductase 1, cytoplasmic(Rattus norvegicus)
University of Padova

Curated by ChEMBL
LigandPNGBDBM50060874(1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro[...)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+5nMAssay Description:Inhibition of rat liver cytosolic TrxR1 by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8S4NPubMed