null

SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

InChI Key InChIKey=AOJJSUZBOXZQNB-TZSSRYMLSA-N

PDB links: 13 PDB IDs match this monomer. 10 PDB IDs contain this monomer as substructures. 10 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  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 76 hits for monomerid = 22984   

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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZP483CPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2N300T9PubMed
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...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3FZFPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
TargetDNA ligase A(Mycobacterium tuberculosis)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SX6BGRPubMed
TargetDNA ligase(Bacteriophage T4)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2SX6BGRPubMed
TargetDNA primase(Mycobacterium tuberculosis)
University of Michigan

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZC81JQPubMed
TargetDNA primase(Bacillus anthracis (Firmicutes))
University of Michigan

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZC81JQPubMed
TargetDNA topoisomerase(Bos taurus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 1(Mus musculus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 1(Cercopithecus aethiops)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDeoxyribonuclease-1(Bos taurus)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDeoxyribonuclease-2-alpha(Sus scrofa)
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
TargetDNA ligase(Bacteriophage T4)
India Central Drug Research Institute

LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of telomerase from human COLO201 cellMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2W37W21PubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibitory concentration against Clostridium histolyticum CollagenaseMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2FN16SCPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay 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
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q27D2VTSPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2765GFCPubMed
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...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2PC33NHPubMed
TargetCarnitine O-palmitoyltransferase 2, mitochondrial(Rattus norvegicus)
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of rat CPT2 in rat mitochondriaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K4CDQPubMed
TargetCarnitine O-palmitoyltransferase 1, liver isoform(Rattus norvegicus)
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of rat CPT1 in rat mitochondriaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K4CDQPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23R0V3TPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23R0V3TPubMed
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...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23R0V3TPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q23R0V3TPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FX7BFKPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2BZ6710PubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2TQ63HJPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2ZP483CPubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2PR7Z4FPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetDNA topoisomerase 2-alpha(Homo sapiens (Human))
Kumamoto University

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2FQ9ZS6PubMed
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...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q26H4KWVPubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen Inc.

Curated by ChEMBL
LigandPNGBDBM22984((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...)copy SMILEScopy InChI
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 Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
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