Compile Data Set for Download or QSAR
Found 168 with Last Name = 'spasov' and Initial = 'ka'
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 0.680nMAssay Description:Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BR8WKQPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM50134209(CHEMBL3342974)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0479NPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM50134211(CHEMBL1923492)copy SMILEScopy InChI
Affinity DataIC50: 2.70nMAssay Description:Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0479NPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550025(CHEMBL1923490)copy SMILES
Affinity DataIC50: 3nMAssay Description:Inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated for 1 hr followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM50134210(CHEMBL3342966)copy SMILEScopy InChI
Affinity DataIC50: 3.30nMAssay Description:Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0479NPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM50501292(CHEMBL3342978)copy SMILEScopy InChI
Affinity DataIC50: 4.5nMAssay Description:Inhibition of recombinant HIV1 reverse transcriptase p66/p51 expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed by primer/tem...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BR8WKQPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM50501292(CHEMBL3342978)copy SMILEScopy InChI
Affinity DataIC50: 5.5nMAssay Description:Inhibition of recombinant HIV1 reverse transcriptase p66/p51 Y181C mutant expressed in Escherichia coli BL21 (DE3) pLysS cells preincubated followed ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2BR8WKQPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50613936(CHEMBL5284744)copy SMILES
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50613935(CHEMBL5290202)copy SMILES
Affinity DataIC50: 11nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550017(CHEMBL4751058)copy SMILES
Affinity DataIC50: 15nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC86HBPubMed
TargetReverse transcriptase(Human immunodeficiency virus 1)
Yale University

Curated by ChEMBL
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 15nMAssay Description:Inhibition of wild-type HIV-1 reverse transcriptase by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M0479NPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50613937(CHEMBL5275311)copy SMILES
Affinity DataIC50: 17nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448369(Perampanel, 21)copy SMILES
Affinity DataIC50: 18nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448371(Perampanel, 23)copy SMILES
Affinity DataIC50: 20nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50613934(CHEMBL5266572)copy SMILES
Affinity DataIC50: 20nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448366(Perampanel, 18 | Perampanel, 19)copy SMILES
Affinity DataIC50: 24nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476986(Inhibitor 17 of SARS-CoV-2 Mpro | Inhibitor 7 of S...)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448373(Perampanel, 25)copy SMILES
Affinity DataIC50: 25nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476992(Inhibitor 12 of SARS-CoV-2 Mpro | US20240092759, C...)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476998(Inhibitor 18 of SARS-CoV-2 Mpro | US20240092759, C...)copy SMILEScopy InChI
Affinity DataIC50: 28nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448370(Perampanel, 22)copy SMILES
Affinity DataIC50: 36nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448368(Perampanel, 20)copy SMILES
Affinity DataIC50: 36nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448366(Perampanel, 18 | Perampanel, 19)copy SMILES
Affinity DataIC50: 37nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448372(Perampanel, 24)copy SMILES
Affinity DataIC50: 37nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476984(Inhibitor 16 of SARS-CoV-2 Mpro | Inhibitor 6 of S...)copy SMILEScopy InChI
Affinity DataIC50: 37nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476995(Inhibitor 15 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM222178(Rilpivirine)copy SMILEScopy InChI
Affinity DataIC50: 38nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476993(Inhibitor 13 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 42nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550020(CHEMBL4777184)copy SMILES
Affinity DataIC50: 42nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC86HBPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476999(Inhibitor 19 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 44nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM484209(Inhibitor 17 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 59nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM484213(Inhibitor 21 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 61nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM484208(Inhibitor 16 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 61nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550019(CHEMBL4797750)copy SMILES
Affinity DataIC50: 64nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZC86HBPubMed
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550016(CHEMBL4797524)copy SMILES
Affinity DataIC50: 82nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476988(Inhibitor 9 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 83nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476990(Inhibitor 10 of SARS-CoV-2 Mpro | US20240092759, C...)copy SMILEScopy InChI
Affinity DataIC50: 85nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448363(Perampanel, 16)copy SMILES
Affinity DataIC50: 100nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550014(CHEMBL4749553)copy SMILES
Affinity DataIC50: 103nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476994(Inhibitor 14 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 105nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448364(Perampanel, 17)copy SMILES
Affinity DataIC50: 110nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448362(Perampanel, 15)copy SMILES
Affinity DataIC50: 110nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReverse transcriptase/RNaseH(Human immunodeficiency virus 1)TBA
LigandPNGBDBM50550022(CHEMBL4777651)copy SMILES
Affinity DataIC50: 119nMAssay Description:Covalent inhibition of recombinant wild type HIV-1 reverse transcriptase using poly(rA)350/oligo(dT)16 as template/primer preincubated followed by su...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476981(Inhibitor 4 of SARS-CoV-2 Mpro | US20240092759, Co...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448375(Perampanel, 27)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448357(Perampanel, 11)copy SMILES
Affinity DataIC50: 120nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476982(Inhibitor 5 of SARS-CoV-2 Mpro | US20240092759, Co...)copy SMILEScopy InChI
Affinity DataIC50: 120nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM448361(Perampanel, 14)copy SMILES
Affinity DataIC50: 128nMAssay Description:Inhibition of proteolytic activity was tested using recombinant SARS-CoV-2Mpro, which was expressed and purified as previously described.8,12 For the...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20K2CMV
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM484212(Inhibitor 20 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 130nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Yale University

LigandPNGBDBM476991(Inhibitor 11 of SARS-CoV-2 Mpro)copy SMILEScopy InChI
Affinity DataIC50: 131nMAssay Description:Purified protein is diluted in reaction buffer to 100 nM in an opaque 96-well plate. The protein is incubated with or without compound in DMSO at dif...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24J0J74PubMed
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