BDBM22984 (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione::Adriamycin::Adriblastina::CHEMBL53463::Doxil::Doxorubicin
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-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 90 hits for monomerid = 22984
Affinity DataIC50: 4.90nMAssay Description:Inhibition of Topo IIalpha (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 5.15nMAssay Description:Cytotoxicity against human NB-1 cells by MTT assayMore data for this Ligand-Target Pair
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
TargetEndothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha(Human)
Saic-Frederick
Curated by ChEMBL
Saic-Frederick
Curated by ChEMBL
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
Affinity DataIC50: 150nMAssay Description:Growth inhibition of MDA-MB-435 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
Affinity DataIC50: 200nMAssay Description:Growth inhibition of MCF7 cells expressing ER and antiestrogen binding sitesMore data for this Ligand-Target Pair
Affinity DataIC50: 300nMAssay Description:Growth inhibition of MDA-MB-231 cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
Affinity DataIC50: 504nMAssay Description:Inhibition of ABCB1 in human HEK293 cellsMore data for this Ligand-Target Pair
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
Affinity DataIC50: 727nMAssay Description:Inhibition of Topoisomerase II beta (unknown origin) relative to controlMore data for this Ligand-Target Pair
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
Affinity DataIC50: 900nMAssay Description:Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessingMore data for this Ligand-Target Pair
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
Affinity DataIC50: 940nMAssay Description:Inhibition of DNA topoisomerase 2 (unknown origin)More data for this Ligand-Target Pair
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
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
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
Affinity DataIC50: 1.10E+3nMAssay Description:Concentration inhibiting Clostridium histolyticum collagenase.More data for this Ligand-Target Pair
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
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
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
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
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
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
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
TargetDNA (cytosine-5)-methyltransferase 3A(Mouse)
M. V. Lomonosov Moscow State University
Curated by ChEMBL
M. V. Lomonosov Moscow State University
Curated by ChEMBL
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
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
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of human topoisomerase 1More data for this Ligand-Target Pair
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
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
Affinity DataIC50: 3.50E+3nMAssay Description:Inhibition of human topoisomerase-2B after 2 hrs by ELISAMore data for this Ligand-Target Pair
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
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
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
TargetATP-dependent translocase ABCB1(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
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
TargetDNA ligase A(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
India Central Drug Research Institute
India Central Drug Research Institute
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
TargetATP-dependent translocase ABCB1(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
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
TargetATP-dependent translocase ABCB1(Human)
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
National Institute of Pharmaceutical Education and Research-Hyderabad
Curated by ChEMBL
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
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
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB0413 from human platelet P2Y12 receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 1.00E+4nMAssay Description:Growth inhibition of multidrug resistant MCF7/Adr cells containing antiestrogen binding sitesMore data for this Ligand-Target Pair
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
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
