Compile Data Set for Download or QSAR
Found 45 with Last Name = 'junop' and Initial = 'ms'
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)copy SMILEScopy InChI
Affinity DataKi:  11.5nM ΔG°:  -45.3kJ/molepH: 7.5 T: 2°CAssay Description:The oxidation of NADPH was monitored at 340 nm using a Molecular Devices SpectraMax Plus 96-well microtiter plate reading spectrophotometer. Plots we...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18050(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)copy SMILEScopy InChI
Affinity DataIC50: 3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18049(3-({[(4-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)copy SMILEScopy InChI
Affinity DataIC50: 75nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18067(3-({[(3-{[(carbamimidamidomethanimidoyl)sulfanyl]m...)copy SMILEScopy InChI
Affinity DataIC50: 75nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370860(CHEMBL219268)copy SMILEScopy InChI
Affinity DataIC50: 79nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetD-beta-D-heptose 7-phosphate kinase(Burkholderia cepacia (strain J2315 / LMG 16656) (B...)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50425038(CHEMBL2312560)copy SMILEScopy InChI
Affinity DataIC50: 230nMAssay Description:Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assayMore data for this Ligand-Target Pair
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370870(CHEMBL218090)copy SMILEScopy InChI
Affinity DataIC50: 280nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370869(CHEMBL220764)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370861(CHEMBL221848)copy SMILEScopy InChI
Affinity DataIC50: 650nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetD-beta-D-heptose 7-phosphate kinase(Burkholderia cepacia (strain J2315 / LMG 16656) (B...)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50425039(CHEMBL2312559)copy SMILEScopy InChI
Affinity DataIC50: 810nMAssay Description:Inhibition of Burkholderia cenocepacia HldA assessed as ATP depletion after 30 mins by luminescence assayMore data for this Ligand-Target Pair
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370865(CHEMBL221706)copy SMILEScopy InChI
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370853(CHEMBL221182)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370850(CHEMBL373750)copy SMILEScopy InChI
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18055(3-({[(4-methoxyphenyl)methyl]sulfanyl}methanimidoy...)copy SMILEScopy InChI
Affinity DataIC50: 3.30E+3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370867(CHEMBL221705)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18056(3-({[(3,4-dichlorophenyl)methyl]sulfanyl}methanimi...)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18051(3-({[(3-methoxyphenyl)methyl]sulfanyl}methanimidoy...)copy SMILEScopy InChI
Affinity DataIC50: 3.80E+3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18052(3-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)me...)copy SMILEScopy InChI
Affinity DataIC50: 4.30E+3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370855(CHEMBL218737)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18064(3-[({[3,5-bis(trifluoromethyl)phenyl]methyl}sulfan...)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+3nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370857(CHEMBL220531)copy SMILEScopy InChI
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370854(CHEMBL220494)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370864(CHEMBL451558)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370856(CHEMBL376005)copy SMILEScopy InChI
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18057(3-({[(4-methylphenyl)methyl]sulfanyl}methanimidoyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.26E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18058(3-[({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)me...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18059(3-({[(4-chlorophenyl)methyl]sulfanyl}methanimidoyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.42E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370866(CHEMBL219582)copy SMILEScopy InChI
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18062(3-({[(2-hydroxy-5-nitrophenyl)methyl]sulfanyl}meth...)copy SMILEScopy InChI
Affinity DataIC50: 1.51E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370848(CHEMBL218058)copy SMILEScopy InChI
Affinity DataIC50: 1.60E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18053(3-({[(3-nitrophenyl)methyl]sulfanyl}methanimidoyl)...)copy SMILEScopy InChI
Affinity DataIC50: 1.89E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18065(3-({[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}methanim...)copy SMILEScopy InChI
Affinity DataIC50: 1.98E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18060(3-({[(4-fluorophenyl)methyl]sulfanyl}methanimidoyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.49E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370858(CHEMBL220530)copy SMILEScopy InChI
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370859(CHEMBL383877)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18054(3-[(benzylsulfanyl)methanimidoyl]guanidine | amidi...)copy SMILEScopy InChI
Affinity DataIC50: 3.46E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18066(3-({[(6-chloropyridin-3-yl)methyl]sulfanyl}methani...)copy SMILEScopy InChI
Affinity DataIC50: 3.47E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18061(3-({[(4-nitrophenyl)methyl]sulfanyl}methanimidoyl)...)copy SMILEScopy InChI
Affinity DataIC50: 3.51E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370852(CHEMBL219322)copy SMILEScopy InChI
Affinity DataIC50: 3.70E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetDihydrofolate reductase(Escherichia coli)
University of Prince Edward Island

LigandPNGBDBM18063(3-[({[2-(trifluoromethyl)phenyl]methyl}sulfanyl)me...)copy SMILEScopy InChI
Affinity DataIC50: 4.06E+4nMpH: 7.0 T: 2°CAssay Description:The DHFR inhibition observed with each derivative was characterized by determination and comparison of the IC50 values. IC50 determinations were perf...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T43RCMPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370851(CHEMBL375564)copy SMILEScopy InChI
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370863(CHEMBL222116)copy SMILEScopy InChI
Affinity DataIC50: 8.20E+4nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370868(CHEMBL218485)copy SMILEScopy InChI
Affinity DataIC50: 2.00E+5nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370849(CHEMBL385118)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed
TargetCystathionine beta-lyase MetC(Escherichia coli K-12)
McMaster University

Curated by ChEMBL
LigandPNGBDBM50370862(CHEMBL221962)copy SMILEScopy InChI
Affinity DataIC50: 5.60E+5nMAssay Description:Inhibition of Escherichia coli CBLMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KS6SCJPubMed