Compile Data Set for Download or QSAR
maximum 50k data
Found 1568 with Last Name = 'shu' and Initial = 'y'
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00000600nM ΔG°:  -82.5kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000130nM ΔG°:  -80.6kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000150nM ΔG°:  -80.2kJ/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000165nM ΔG°:  -74.2kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000220nM ΔG°:  -73.5kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4687((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000240nM ΔG°:  -73.2kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000420nM ΔG°:  -71.8kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000750nM ΔG°:  -70.4kJ/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00120nM ΔG°:  -69.2kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00170nM ΔG°:  -68.3kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00200nM ΔG°:  -67.9kJ/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00240nM ΔG°:  -67.4kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00260nM ΔG°:  -67.2kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00340nM ΔG°:  -66.6kJ/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00390nM ΔG°:  -66.2kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00430nM ΔG°:  -66.0kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00460nM ΔG°:  -65.8kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4687((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0250nM ΔG°:  -61.5kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4687((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0270nM ΔG°:  -61.3kJ/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4687((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0544nM ΔG°:  -59.6kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  0.0570nM ΔG°:  -59.5kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50305990(CHEMBL596388 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50453675(CHEMBL2113400)
Affinity DataKi:  0.330nMAssay Description:Binding affinity against adenosine A3 receptor from rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50305989(CHEMBL596387 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Affinity DataKi:  0.390nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306002(CHEMBL595705 | N-(6-(5-chloro-2-(4-methoxyphenylsu...)
Affinity DataKi:  0.650nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50211605((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306008(1,1,1-trifluoro-N-(6-(2-(pyridin-2-ylsulfonyl)-5-(...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211619((S)-N-(1-(4-(4-ethoxy-2-(2-fluorophenylsulfonyl)ph...)
Affinity DataKi:  0.900nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118812((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity against adenosine A3 receptor from rat brain.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211617((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Affinity DataKi:  1.10nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent T-type calcium channel subunit alpha-1I(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50338167((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)
Affinity DataKi:  1.20nMAssay Description:Binding affinity to Cav3.3 alpha1iMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211632((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50172158((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Affinity DataKi:  1.30nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211636((S)-N-(1-(4-(4-cyclopropyl-2-(2-fluorophenylsulfon...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306017(CHEMBL604704 | N-((1R,5S,6s)-3-(4-chloro-2-(2-fluo...)
Affinity DataKi:  1.5nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306007(CHEMBL592896 | N-(6-(5-chloro-2-(pyridin-2-ylsulfo...)
Affinity DataKi:  1.60nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306016(CHEMBL596579 | N-(6-(4-chloro-2-(2-fluorophenylsul...)
Affinity DataKi:  1.70nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306003(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)
Affinity DataKi:  2nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211605((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Affinity DataKi:  2nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  2.30nM ΔG°:  -50.1kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211629((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211627((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...)
Affinity DataKi:  2.5nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211610((S)-N-(1-(4-(4-chloro-2-(pyridin-2-ylsulfonyl)phen...)
Affinity DataKi:  2.90nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50306005(1,1,1-trifluoro-N-(6-(2-(2-fluorophenylsulfonyl)-5...)
Affinity DataKi:  3nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50305993(CHEMBL594300 | N-((1-(4-chloro-2-(2-fluorophenylsu...)
Affinity DataKi:  3nMAssay Description:Binding affinity to human CB2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211604((S)-N-(1-(4-(4-chloro-2-(pyridin-2-ylsulfonyl)phen...)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211628((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...)
Affinity DataKi:  3.70nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211609((S)-N-(1-(4-(2-(2-amino-6-fluorophenylsulfonyl)-4-...)
Affinity DataKi:  4.10nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50211616((S)-N-(1-(4-(4-(cyclopropylamino)-2-(2-fluoropheny...)
Affinity DataKi:  4.90nMAssay Description:Binding affinity to CB1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM577((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...)
Affinity DataKi:  4.90nM ΔG°:  -48.2kJ/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
Displayed 1 to 50 (of 1568 total ) | Next | Last >>
Jump to: