Compile Data Set for Download or QSAR
Found 146 Enz. Inhib. hit(s) with all data for entry = 50018115
LigandPNGBDBM50193104(CHEMBL3905910)copy SMILEScopy InChI
Affinity DataKi:  0.626nMAssay Description:Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM126500(US11591322, Compound NVP-2 | US8778951, 310)copy SMILEScopy InChI
Affinity DataIC50: 0.514nMAssay Description:Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50193093(RGB-286638)copy SMILEScopy InChI
Affinity DataIC50: 1nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-C(Homo sapiens (Human))TBA
LigandPNGBDBM8131(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)copy SMILEScopy InChI
Affinity DataIC50: 1.10nMAssay Description:The compound was evaluated for its relative binding affinity against mutant Y50F scytalone dehydratase; Relative KiMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM167699(US9073922, 186 | US9796708, Example 186)copy SMILES
Affinity DataIC50: 1.20nMAssay Description:Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparationsMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 7(Homo sapiens (Human))TBA
LigandPNGBDBM50553499(CHEMBL4754493)copy SMILES
Affinity DataIC50: 1.30nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50193104(CHEMBL3905910)copy SMILEScopy InChI
Affinity DataIC50: 1.70nMAssay Description:In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.More data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50193093(RGB-286638)copy SMILEScopy InChI
Affinity DataIC50: 2nMAssay Description:Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparationsMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50404385(CHEMBL5273069)copy SMILEScopy InChI
Affinity DataIC50: 2.5nMAssay Description:In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM354126(US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...)copy SMILES
Affinity DataIC50: 2.60nMAssay Description:Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal stripsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM8131(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)copy SMILEScopy InChI
Affinity DataIC50: 2.70nMAssay Description:The compound was evaluated for its relative binding affinity against mutant N131A scytalone dehydratase; Relative KiMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Inhibition of human liver cathepsin D at 0.5 uMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50193093(RGB-286638)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal stripsMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM5655(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)copy SMILEScopy InChI
Affinity DataIC50: 3nMAssay Description:In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50553480(CHEMBL4741442)copy SMILES
Affinity DataIC50: 4nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50193093(RGB-286638)copy SMILEScopy InChI
Affinity DataIC50: 4nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50553499(CHEMBL4754493)copy SMILES
Affinity DataIC50: 4nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50553480(CHEMBL4741442)copy SMILES
Affinity DataIC50: 5nMAssay Description:ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary arteryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM164883(US9067888, 33)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary arteryMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM106950(US8592581, 1)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand.More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 5(Homo sapiens (Human))TBA
LigandPNGBDBM50139171(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50193093(RGB-286638)copy SMILEScopy InChI
Affinity DataIC50: 5nMAssay Description:Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal stripsMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50593922(CHEMBL5199065)copy SMILES
Affinity DataIC50: 6nMAssay Description:Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptorMore data for this Ligand-Target Pair
LigandPNGBDBM50404387(CHEMBL5287128)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50404385(CHEMBL5273069)copy SMILEScopy InChI
Affinity DataIC50: 7nMAssay Description:In vitro antagonism of the 5-HT-3 receptor determined by inhibition of 5-HT-induced depolarization of the isolated rat vagus nerve.More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50404387(CHEMBL5287128)copy SMILEScopy InChI
Affinity DataIC50: 9nMAssay Description:Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as concentration required to incapacitate 50% of the population exposed to t...More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 7(Homo sapiens (Human))TBA
LigandPNGBDBM27344(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of PARP1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 7(Homo sapiens (Human))TBA
LigandPNGBDBM5655(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails DrugBank
LigandPNGBDBM50553488(CHEMBL4743691)copy SMILES
Affinity DataIC50: 11nMAssay Description:Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptorMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50404387(CHEMBL5287128)copy SMILEScopy InChI
Affinity DataIC50: 11nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 8(Homo sapiens (Human))TBA
LigandPNGBDBM50193104(CHEMBL3905910)copy SMILEScopy InChI
Affinity DataIC50: 12nMAssay Description:Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferensMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 4(Homo sapiens (Human))TBA
LigandPNGBDBM167699(US9073922, 186 | US9796708, Example 186)copy SMILES
Affinity DataIC50: 16nMAssay Description:Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal stripsMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 4(Homo sapiens (Human))TBA
LigandPNGBDBM354126(US9796708, Example 1358 | trans-4-{4-[5-fluoro-4-(...)copy SMILES
Affinity DataIC50: 16nMAssay Description:Blocking activity against Beta-2 adrenergic receptor in guinea pig tracheal stripsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetCyclin-K(Homo sapiens (Human))TBA
LigandPNGBDBM8131(N-(4-Isopropylphenyl)-4-pyrazolo[1,5-b]pyridazin-3...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Ability to displace [3H]glycine from strychnine-insensitive glycine receptorMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50404388(P 276-00 free base | P-276-00 free base | P276-00 ...)copy SMILEScopy InChI
Affinity DataIC50: 20nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 5(Homo sapiens (Human))TBA
LigandPNGBDBM106950(US8592581, 1)copy SMILEScopy InChI
Affinity DataIC50: 21nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 7(Homo sapiens (Human))TBA
LigandPNGBDBM50404387(CHEMBL5287128)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibitory activity against Escherichia coli TEM-3 Beta-lactamaseMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50193104(CHEMBL3905910)copy SMILEScopy InChI
Affinity DataIC50: 25nMAssay Description:Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells More data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM106950(US8592581, 1)copy SMILEScopy InChI
Affinity DataIC50: 26nMAssay Description:Displacement of [3H]SR141716 from CB1 receptor in rat cerebellum homogenate at 100 uMMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM5655(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells More data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50404386(CHEMBL5287796)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:ETA receptor antagonist activity was measured by inhibition of ET-1 induced vasoconstriction in isolated porcine coronary arteryMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM27344(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)copy SMILEScopy InChI
Affinity DataIC50: 34nMAssay Description:In Vitro binding affinity for imidazoline receptor I-1 of rabbit kidney at 10e-7 MMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM50013510(CHEMBL3263773)copy SMILEScopy InChI
Affinity DataIC50: 44nMAssay Description:The compound was evaluated for its relative binding affinity against mutant Y30F scytalone dehydratase; Relative KiMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM5931(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)copy SMILEScopy InChI
Affinity DataIC50: 48nMAssay Description:Blocking activity against Beta-1 adrenergic receptor in spontaneously beating guinea pig atrial preparationsMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 9(Homo sapiens (Human))TBA
LigandPNGBDBM50404389(CHEMBL5285499)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Effective concentration required for inhibitory activity towards human beta-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails
TargetCyclin-dependent kinase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50553480(CHEMBL4741442)copy SMILES
Affinity DataIC50: 50nMAssay Description:Inhibition of [125I]NDP-MSH (radioligand) binding to human MC1R at 10 um concentration stably expressed in HEK293 cells More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
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