Compile Data Set for Download or QSAR
Found 29 with Last Name = 'agarwal' and Initial = 'r'
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50189883(CHEMBL1999371)copy SMILEScopy InChI
Affinity DataKi:  1.29E+3nMAssay Description:Inhibition of protease activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by Dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50189879(CHEMBL3827999)copy SMILEScopy InChI
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50463893(CHEMBL4237960)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+3nMAssay Description:Inhibition of alpha-glucosidase (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K076X4PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50189880(CHEMBL3828454)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50189881(CHEMBL3827632)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50322673(2'-(9H-fluoren-2-ylcarbamoyl)-4,4'-dichlorobipheny...)copy SMILEScopy InChI
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
University of North Carolina at Greensboro

Curated by ChEMBL
LigandPNGBDBM60989((3S)-2-[(2S,3S)-2-(hydroxymethyl)-3-(3-methoxy-4-o...)copy SMILEScopy InChI
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of CYP2C9 in pooled human liver microsomes assessed as reduction in enzyme-mediated (S)-warfarin 7-hydroxylation by HPLC/MS-MS methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q23R0V65PubMed
TargetBotulinum neurotoxin type E(Clostridium botulinum)
Brookhaven National Laboratory

Curated by ChEMBL
LigandPNGBDBM50189882(CHEMBL3828595)copy SMILEScopy InChI
Affinity DataIC50: 9.80E+3nMAssay Description:Inhibition of endopeptidase activity of Clostridium botulinum BoNT/E light chain using SNAP-25 as substrate after 15 mins by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VT1V28PubMed
TargetProbable maltase-glucoamylase 2(Homo sapiens)
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50463894(CHEMBL4238409)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of alpha-glucosidase (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2K076X4PubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50095648(CHEMBL3623270)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50095650(CHEMBL3623271)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50114770(CHEMBL3623272)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50114772(CHEMBL3623273)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50332532((E)-5-(3,4,5-trimethoxybenzylidene)imidazolidine-2...)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50115810(CHEMBL139899)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50119350(CHEMBL3623274)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50119351(CHEMBL3623275)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50119352(CHEMBL3623276)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50119353(CHEMBL3623277)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50081727(CHEMBL3623269)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50081726(CHEMBL3623268)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50049758(CHEMBL3623267)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50049755(CHEMBL3623266)copy SMILEScopy InChI
Affinity DataEC50:  1.01E+4nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50049752(CHEMBL3623265)copy SMILEScopy InChI
Affinity DataEC50:  3.03E+4nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50445298(CHEMBL3104229)copy SMILEScopy InChI
Affinity DataEC50:  2.77E+4nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50049751(CHEMBL3623264)copy SMILEScopy InChI
Affinity DataEC50:  9.32E+4nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50018914(CHEMBL3623263)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50013078(CHEMBL3623261)copy SMILEScopy InChI
Affinity DataEC50:  4.90E+4nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed
TargetDNA topoisomerase 1(Homo sapiens (Human))
Shiv Nadar University

Curated by ChEMBL
LigandPNGBDBM50018912(CHEMBL3623262)copy SMILEScopy InChI
Affinity DataEC50: >1.00E+5nMAssay Description:Inhibition of wild type recombinant human Top1 expressed in baculovirus infected insect Sf9 cells assessed as decrease in supercoiled pBS(SK+) DNA is...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FB54SZPubMed