Compile Data Set for Download or QSAR
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 87 hits in this display   

TargetCDGSH iron-sulfur domain-containing protein 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi:  3.45E+3nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi:  8.50E+3nMAssay Description:TP_TRANSPORTER: inhibition of Taxol transepithelial transport (basal to apical) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 12(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi:  3.80E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi:  1.50E+5nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKi:  2.30E+5nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-3(Mus musculus)
National Research Centre

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.15nMAssay Description:Cytotoxicity against human NB-1 cells by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAurora kinase A(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  40nMAssay Description:Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target7-dehydrocholesterol reductase(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  150nMAssay Description:Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target7-dehydrocholesterol reductase(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  200nMAssay Description:Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  266nMpH: 7.4 T: 2°CAssay Description:A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target7-dehydrocholesterol reductase(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  300nMAssay Description:Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  600nMAssay Description:Inhibition of human topoisomerase-2alpha using catenated DNA as substrate after 30 mins by ethidium bromide-based gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-beta(Homo sapiens (Human))
Mansoura University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  727nMAssay Description:Inhibition of Topoisomerase II beta (unknown origin) relative to controlMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target14-3-3 protein gamma(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50: <781nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  880nMAssay Description:Inhibition of human topoisomerase 2 using supercoiled pHOT1 DNA as substrate after 30 mins by agarose gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrase(Human immunodeficiency virus 1)
University Of California

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  900nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  940nMAssay Description:Inhibition of human DNA topoisomerase 2 catalytic activity using supercoiled pRYG DNA as substrate measured after 45 mins in presence of ATP by agaro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  964nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  990nMAssay Description:Inhibition of human topoisomerase-2 alpha in human A498 cells assessed as decrease in relaxation of supercoiled DNA at 10 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target72 kDa type IV collagenase(Homo sapiens (Human))
Technical University Of Denmark

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibitory concentration against Clostridium histolyticum CollagenaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSteroidogenic factor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  1.18E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of topoisomerase 2 in human CNE1 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.50E+3nMAssay Description:Inhibition of topoisomerase 2 in human MCF7 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  1.58E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of topoisomerase 2 in human A549 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsoform 2 of Nuclear receptor ROR-alpha (Alpha-2)(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  2.38E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIntegrase(Human immunodeficiency virus 1)
University Of California

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.40E+3nMAssay Description:Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transferMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.60E+3nMAssay Description:Inhibition of topoisomerase 2 in human HepG2 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase(Bacteriophage T4)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.00E+3nMpH: 7.6 T: 2°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human DNA topoisomerase 2alpha-mediated decatenation of kinetoplast DNA after 60 mins by agarose gel electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA (cytosine-5)-methyltransferase 3A(Mus musculus)
M. V. Lomonosov Moscow State University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Chinese Academy Of Sciences

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of human topoisomerase 2alpha-mediated kinetoplast DNA decatenation after 60 mins by ethidium bromide staining based agarose gel electroph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.30E+3nMAssay Description:Inhibition of topoisomerase 2 in human HeLa cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-beta(Homo sapiens (Human))
Mansoura University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of human topoisomerase-2B after 2 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-beta(Homo sapiens (Human))
Mansoura University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.50E+3nMAssay Description:Inhibition of human topoisomerase 2beta after 2 hrs at 37 degC by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 2-alpha/2-beta(Homo sapiens (Human))
Guangxi University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  3.80E+3nMAssay Description:Inhibition of topoisomerase 2 in human MDA-MB-231 cells assessed as reduction in cell growth measured after 72 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA primase(Bacillus anthracis (Firmicutes))
University Of Michigan

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  4.40E+3nMpH: 8.8Assay Description:The reaction mixture contained DNA (1.25 uM or as specified), NTP (110 uM or as specified), 50 mM NaCl, 150 mM potassium glutamate, buffer [20 mM CAP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  4.90E+3nMAssay Description:Inhibition of P-glycoprotein overexpressed in human SW620/AD300 cells assessed as reversal of doxorubicin resistance by measuring doxorubicin IC50 at...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase A(Mycobacterium tuberculosis)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.00E+3nMpH: 8.0 T: 2°CAssay Description:The assay was performed using a 40-bp double-stranded DNA substrate carrying a single-strand nick between bases 22 and 23. The reaction products were...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.75E+3nMAssay Description:Inhibition of P-gp mediated doxorubicin resistance in human SW620/AD300 cells overexpressing P-gp measured after 48 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetDNA primase(Mycobacterium tuberculosis)
University Of Michigan

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  9.30E+3nMpH: 8.8Assay Description:The reaction mixture contained DNA (1.25 uM or as specified), NTP (110 uM or as specified), 50 mM NaCl, 150 mM potassium glutamate, buffer [20 mM CAP...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target7-dehydrocholesterol reductase(Homo sapiens (Human))
University Of Colorado

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.00E+4nMAssay Description:Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA-directed RNA polymerase subunit beta(Escherichia coli)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  1.44E+4nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.90E+4nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kaohsiung Medical University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.00E+4nMAssay Description:Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  2.12E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetType II restriction enzyme ScaI(Streptomyces caespitosus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRibonuclease pancreatic(Bison bison (American bison))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50: >3.00E+4nMAssay Description:Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  3.46E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  4.10E+4nMAssay Description:Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake incubated for 5 mins by scintillatio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Queen'S University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.05 uM) in membrane vesicle from MRP1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
University Of Missouri

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.20E+4nMAssay Description:Inhibition of HIV-1 reverse transcriptase using Poly(rA).p(dT) (12 to 18) as substrate after 30 mins by single point PCR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTelomerase reverse transcriptase(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  7.30E+4nMAssay Description:Inhibition of telomerase from human COLO201 cellMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)
University Of Belgrade

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  7.41E+4nMAssay Description:Inhibition of recombinant HIV-1 reverse transcriptase using ABTS as substrate incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCDGSH iron-sulfur domain-containing protein 1(Homo sapiens (Human))
West Virginia University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  8.08E+4nMAssay Description:Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA repair protein RAD51 homolog 1(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50:  8.50E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetType II restriction enzyme HindIII(Haemophilus influenzae)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  9.60E+4nMAssay Description:Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
The University Of Kansas

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  9.69E+4nMAssay Description:Inhibition of ABCB1 in human K562/A02 cells assessed as potentiation of adriamycin-induced cytotoxicity by measuring ADR IC50 at 5 uM measured after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 2, mitochondrial(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of rat CPT2 in rat mitochondriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >1.35E+5nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  1.60E+5nMAssay Description:Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kaohsiung Medical University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition topoisomerase 1 in human COLO201 cells assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kaohsiung Medical University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition topoisomerase 1 in human HeLa cells assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeoxyribonuclease-2-alpha(Sus scrofa)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of porcine spleen DNase 2 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase(Bos taurus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition calf thymus gland topoisomerase 1 assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Mus musculus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA ligase(Bacteriophage T4)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetType II restriction enzyme EcoRI(Escherichia coli)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of Escherichia coli Eco R1 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetType II restriction enzyme PstI(Providencia stuartii)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Cercopithecus aethiops)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetType II restriction enzyme BamHI(Bacillus amyloliquefaciens)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of Bacillus amyloliquifaction Bam H1 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kaohsiung Medical University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition topoisomerase 1 in human A549 cells assessed as conversion of supercoiled pBR322 DNA to relaxed formMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDeoxyribonuclease-1(Bos taurus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50: >2.00E+5nMAssay Description:Inhibition of bovine pancreas DNase 1 assessed as undigested supercoiled pBR322 DNA concentrationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 2B1(Homo sapiens (Human))
Uppsala University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.40E+5nMAssay Description:Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake incubated for 5 mins by scintillation coun...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 1, liver isoform(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  2.50E+5nMAssay Description:Inhibition of rat CPT1 in rat mitochondriaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetStromelysin-3(Mus musculus)
National Research Centre

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataIC50:  5.20E+6nMAssay Description:Cytotoxicity against human NB-1 cells after 3 days by MTT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataEC50:  120nMAssay Description:Inhibition of HIF1 activation in human U251 cells stably transfected in pGL2-TK-HRE plasmid under hypoxic condition after 16 to 24 hrs by luciferase ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein LANA1(Human herpesvirus 8)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM32022((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...)
Affinity DataEC50:  7.69E+3nMAssay Description:Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
University Of Louisiana At Monroe

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)
Affinity DataKd:  1.10E+7nMAssay Description:Binding affinity to HER2 domain-4 (unknown origin) by SPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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