Compile Data Set for Download or QSAR
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Found 590 with Last Name = 'letourneau' and Initial = 'jj'
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50299343((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Affinity DataKi:  0.600nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(RAT)
Msd

Curated by ChEMBL
LigandPNGBDBM50299343((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Affinity DataKi:  1nMAssay Description:Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetOxytocin receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50299343((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]oxytocin from human oxytocin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1a receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50299343((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Affinity DataKi:  22nMAssay Description:Displacement of [3H]AVP from human vasopressin V1a receptor at 5 uMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V2 receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50299343((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)
Affinity DataKi:  325nMAssay Description:Displacement of [3H]AVP from human vasopressin V2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454459(CHEMBL4215036)
Affinity DataIC50:  1nMAssay Description:Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50345056(2-(6-(3-((dimethylamino)methyl)phenyl)-2-(4-fluoro...)
Affinity DataIC50:  1nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50311657(1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...)
Affinity DataIC50:  1nMAssay Description:Inhibition of human JAK3 (508-1124) by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V(Homo sapiens (Human))
Pharmacopeia

Curated by ChEMBL
LigandPNGBDBM50277112(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Affinity DataIC50:  1nMAssay Description:Binding affinity to human integrin alphavbeta3 receptor by TRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454459(CHEMBL4215036)
Affinity DataIC50:  1nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507130(CHEMBL4452983)
Affinity DataIC50:  2nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50345045(CHEMBL1778950 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Affinity DataIC50:  2nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V(Homo sapiens (Human))
Pharmacopeia

Curated by ChEMBL
LigandPNGBDBM50277111(3-Benzo[1,3]dioxol-5-yl-3-[1-oxo-6-(1,2,3,4-tetrah...)
Affinity DataIC50:  2nMAssay Description:Binding affinity to human integrin alphavbeta3 receptor by TRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(RAT)
Msd

Curated by ChEMBL
LigandPNGBDBM50338810(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Affinity DataIC50:  2nMAssay Description:Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507108(CHEMBL4529863)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454497(CHEMBL4214079)
Affinity DataIC50:  3nMAssay Description:Inhibition of Clostridium difficile toxin B transfected in CHO cells assessed as reduction in caspase 3/7 activation pre-incubated for 1 hr before Tc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50311656(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)
Affinity DataIC50:  3nMAssay Description:Inhibition of human JAK3 (508-1124) by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338810(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Affinity DataIC50:  3nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338810(CHEMBL1684573 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Affinity DataIC50:  3nMAssay Description:Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50325890(CHEMBL1224536 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Affinity DataIC50:  3nMAssay Description:Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454498(CHEMBL4215657)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454500(CHEMBL4212258)
Affinity DataIC50:  3nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507115(CHEMBL4520413)
Affinity DataIC50:  4nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507128(CHEMBL4451752)
Affinity DataIC50:  4nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(RAT)
Msd

Curated by ChEMBL
LigandPNGBDBM50338811(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Affinity DataIC50:  4nMAssay Description:Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507134(CHEMBL4444965)
Affinity DataIC50:  4nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507135(CHEMBL4470638)
Affinity DataIC50:  4nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338798(CHEMBL1684561 | N-isopropyl-2-(2-(3-methoxyphenyl)...)
Affinity DataIC50:  4nMAssay Description:Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507107(CHEMBL4473557)
Affinity DataIC50:  4nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507105(CHEMBL4557223)
Affinity DataIC50:  5nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338799(2-(2-(3-chlorophenyl)-6-(3-morpholinopropoxy)-4-ox...)
Affinity DataIC50:  5nMAssay Description:Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50325894(CHEMBL1224615 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Affinity DataIC50:  5nMAssay Description:Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507127(CHEMBL4476228)
Affinity DataIC50:  5nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507120(CHEMBL4473443)
Affinity DataIC50:  5nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V(Homo sapiens (Human))
Pharmacopeia

Curated by ChEMBL
LigandPNGBDBM50277112(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Affinity DataIC50:  5nMAssay Description:Binding affinity to human integrin alphavbeta5 receptor by TRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50311657(1-(9-(8-fluorochroman-4-yl)-8-oxo-8,9-dihydro-7H-p...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human JAK2 (532-1132) by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338811(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Affinity DataIC50:  6nMAssay Description:Displacement of [3H]AVP from human V1b receptor expressed in CHO cells co-expressing VIP-luciferase by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50338811(2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)p...)
Affinity DataIC50:  6nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by whole cell binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507133(CHEMBL4461315)
Affinity DataIC50:  6nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50311644(1-(9-(2,6-difluorobenzyl)-8-oxo-8,9-dihydro-7H-pur...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human JAK3 (508-1124) by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507136(CHEMBL4454294)
Affinity DataIC50:  7nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetVasopressin V1b receptor(Homo sapiens (Human))
Msd

Curated by ChEMBL
LigandPNGBDBM50345055(2-(6-(5-((dimethylamino)methyl)-2-fluorophenyl)-2-...)
Affinity DataIC50:  7nMAssay Description:Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells co-expressing VIP-luciferase by scintillation counting-based whole...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50311640(1-(8-oxo-9-(tetrahydro-2H-pyran-4-yl)-8,9-dihydro-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of human JAK3 (508-1124) by time resolved fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50454497(CHEMBL4214079)
Affinity DataIC50:  7nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B catalytic fragment (Met1 to Leu543 residues) assessed as reduction in...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50325888(CHEMBL1224534 | N-(1-((6-(benzo[d][1,3]dioxol-4-yl...)
Affinity DataIC50:  7nMAssay Description:Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCannabinoid receptor 1(Homo sapiens (Human))
Ligand Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50325892(CHEMBL1224613 | N-(3-((6-(benzo[d][1,3]dioxol-4-yl...)
Affinity DataIC50:  7nMAssay Description:Displacement of [3H]CC55940 human cannabinoid CB1 receptor expressed in CHO cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V(Homo sapiens (Human))
Pharmacopeia

Curated by ChEMBL
LigandPNGBDBM50277098(3-[1-Oxo-6-(1,2,3,4-tetrahydro-benzo[4,5]imidazo[1...)
Affinity DataIC50:  7nMAssay Description:Binding affinity to human integrin alphavbeta3 receptor by TRF assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507126(CHEMBL4483028)
Affinity DataIC50:  8nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507113(CHEMBL4436890)
Affinity DataIC50:  8nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetToxin B(Peptoclostridium difficile)
Venenum Biodesign

Curated by ChEMBL
LigandPNGBDBM50507114(CHEMBL4553525)
Affinity DataIC50:  8nMAssay Description:Inhibition of C-terminal 6-His tagged recombinant Clostridium difficile toxin B glucosyltransferase domain assessed as reduction in UDP-glucose hydro...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
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