Compile Data Set for Download or QSAR
maximum 50k data
Found 512 with Last Name = 'randal' and Initial = 'm'
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by PDSP Ki Database
LigandPNGBDBM50207816(CHEMBL273094 | N-(2-Amino-ethyl)-2-[4-(2,6-dioxo-1...)
In DepthDetails PubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16292(3-N-[(2S,3S,5R)-3-amino-5-[(4-fluorophenyl)carbamo...)
Affinity DataKi:  26nM ΔG°:  -42.9kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16291(3-N-[(2S,3S,5R)-3-amino-5-{[(1S)-1-(benzylcarbamoy...)
Affinity DataKi:  33nM ΔG°:  -42.3kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16286(3-N-[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-met...)
Affinity DataKi:  71nM ΔG°:  -40.4kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16287(3-N-[(1R,3S,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...)
Affinity DataKi:  120nM ΔG°:  -39.1kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16289(3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hy...)
Affinity DataKi:  1.30E+3nM ΔG°:  -33.3kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16290(3-N-[(1R,3S,4S)-3-amino-1-[(4-fluorophenyl)carbamo...)
Affinity DataKi:  3.00E+3nM ΔG°:  -31.2kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [22-454](Homo sapiens (Human))
Sunesis

LigandPNGBDBM16288(3-N-[(1R,3R,4S)-3-amino-1-{[(1S)-1-(benzylcarbamoy...)
Affinity DataKi:  1.13E+4nM ΔG°:  -28.0kJ/molepH: 4.5 T: 2°CAssay Description:Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50323836(3-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Affinity DataIC50:  0.200nMAssay Description:Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315610((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  0.210nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315616(3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Affinity DataIC50:  0.230nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272889(2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)...)
Affinity DataIC50:  0.300nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272976(2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoro...)
Affinity DataIC50:  0.400nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191713(CHEMBL214989 | N-(4-tert-butylphenyl)-4-[3-(N-meth...)
Affinity DataIC50:  0.400nMAssay Description:Antagonist activity against low pH(5.0-5.5)-activated rat VR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272848(2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifl...)
Affinity DataIC50:  0.5nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272890(2-(benzyloxymethyl)-N-(4-(trifluoromethyl)phenyl)-...)
Affinity DataIC50:  0.5nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272850(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Affinity DataIC50:  0.5nMAssay Description:Antagonist activity at rat TRPV1 receptor assessed as inhibition of low pH-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315608((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  0.630nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191726((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  0.800nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191713(CHEMBL214989 | N-(4-tert-butylphenyl)-4-[3-(N-meth...)
Affinity DataIC50:  0.800nMAssay Description:Antagonist activity against capsaicin-activated human VR1 by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50323839(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Affinity DataIC50:  0.800nMAssay Description:Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315609((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  0.830nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273167((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)
Affinity DataIC50:  0.850nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM20557(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)
Affinity DataIC50:  0.900nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272851(2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(...)
Affinity DataIC50:  0.900nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273213(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)
Affinity DataIC50:  1nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191748(CHEMBL214331 | N-(4-tert-butylphenyl)-4-(3-fluorop...)
Affinity DataIC50:  1nMAssay Description:Antagonist activity against low pH(5.0-5.5)-activated rat VR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273251(2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin...)
Affinity DataIC50:  1nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191726((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  1.10nMAssay Description:Antagonist activity against capsaicin-activated human VR1 by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191726((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  1.10nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191726((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273085(2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phe...)
Affinity DataIC50:  1.20nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50323839(5-(trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyrid...)
Affinity DataIC50:  1.30nMAssay Description:Antagonist activity at Sprague-Dawley rat dorsal root ganglion TRPV1 assessed as inhibition of pH (5.0 to 5.5)-induced receptor activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191726((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)
Affinity DataIC50:  1.40nMAssay Description:Antagonist activity against low pH(5.0-5.5)-activated rat VR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272850(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Affinity DataIC50:  1.5nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272850(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human TRPV1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315612(7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)
Affinity DataIC50:  1.65nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273285(2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(t...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50272974(2-(2-methoxyethyl)-N-(4-(trifluoromethyl)phenyl)-7...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273166(2-(3-((2S,6R)-2,6-dimethylmorpholino)propyl)-N-(4-...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Rattus norvegicus (rat))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50160039(CHEMBL183752 | N-(4-tert-Butyl-phenyl)-4-(3-chloro...)
Affinity DataIC50:  2nMAssay Description:Antagonist activity against low pH(5.0-5.5)-activated rat VR1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273087(2-(morpholinomethyl)-N-(4-(trifluoromethyl)phenyl)...)
Affinity DataIC50:  2.10nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315615(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Affinity DataIC50:  2.20nMAssay Description:Antagonist activity at human TRPV1 assessed as inhibition of capsaicin-induced receptor activation by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50315615(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)
Affinity DataIC50:  2.20nMAssay Description:Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273167((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)
Affinity DataIC50:  2.5nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThromboxane-A synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM7962(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Affinity DataIC50:  3nMAssay Description:Inhibitory activity against thromboxane A2 synthetaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50191748(CHEMBL214331 | N-(4-tert-butylphenyl)-4-(3-fluorop...)
Affinity DataIC50:  3nMAssay Description:Antagonist activity against capsaicin-activated human VR1 by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThromboxane-A synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM7962(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Affinity DataIC50:  3nMAssay Description:Inhibition of TXA2 synthetase from human plateletsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThromboxane-A synthase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM7962(4-(2-Imidazol-1-yl-ethoxy)-benzoic acid; hydrochlo...)
Affinity DataIC50:  3nMAssay Description:Inhibition of thromboxane TXA2 synthetase from human plateletsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransient receptor potential cation channel subfamily V member 1(Homo sapiens (Human))
Neurogen

Curated by ChEMBL
LigandPNGBDBM50273165(2-(3-morpholinopropyl)-N-(4-(trifluoromethyl)pheny...)
Affinity DataIC50:  3nMAssay Description:Antagonist activity at human TRPV1 receptor assessed as inhibition of capsaicin-induced activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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