Compile Data Set for Download or QSAR
Found 370 from University of Toledo
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083651((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)copy SMILEScopy InChI
Affinity DataKi:  0.00794nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083651((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)copy SMILEScopy InChI
Affinity DataKi:  0.00800nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083652(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)copy SMILEScopy InChI
Affinity DataKi:  0.0129nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083652(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)copy SMILEScopy InChI
Affinity DataKi:  0.0130nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083651((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)copy SMILEScopy InChI
Affinity DataKi:  0.0759nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083651((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)copy SMILEScopy InChI
Affinity DataKi:  0.0760nMAssay Description:Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083652(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)copy SMILEScopy InChI
Affinity DataKi:  0.229nMAssay Description:Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083652(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)copy SMILEScopy InChI
Affinity DataKi:  0.229nMAssay Description:Binding of [3H]-QNB to HM2 receptor was evaluated by saturation binding assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50038413(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)copy SMILEScopy InChI
Affinity DataKi:  18nMAssay Description:Binding affinity against nicotinic acetylcholine receptor (nAChR)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24F1PS9PubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083651((S)-3-Hydroxy-2-(2-tetradecanoylamino-acetylamino)...)copy SMILEScopy InChI
Affinity DataKi:  562nMAssay Description:Ability to displace [3H]QNB from HM1 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50083652(CHEMBL112297 | Hexadecanoic acid (S)-2-benzyloxyca...)copy SMILEScopy InChI
Affinity DataKi:  851nMAssay Description:Ability to displace [3H]QNB from HM2 receptor binding to acetylcholine was evaluated by ligand inhibition assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2668CDHPubMed
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50038415((2,3-Dihydroxy-benzyl)-trimethyl-ammonium; bromide...)copy SMILEScopy InChI
Affinity DataKi:  2.80E+4nMAssay Description:Binding affinity against nicotinic acetylcholine receptor (nAChR)Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24F1PS9PubMed
TargetSodium- and chloride-dependent creatine transporter 1(Rattus norvegicus)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048111((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)copy SMILEScopy InChI
Affinity DataKi:  6.00E+4nMAssay Description:Inhibition of high affinity dopamine uptake at concentration of 1 microMMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048111((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)copy SMILEScopy InChI
Affinity DataKi:  9.00E+4nMAssay Description:Inhibition constant of high-affinity choline uptakeMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetSodium- and chloride-dependent creatine transporter 1(Rattus norvegicus)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048110(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataKi:  1.30E+5nMAssay Description:Inhibition constant of high-affinity 5-HT uptakeMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048110(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataKi:  3.90E+5nMAssay Description:Inhibition constant of high-affinity 5-HT uptakeMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetSodium-dependent dopamine transporter(Rattus norvegicus (rat))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048110(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataKi:  5.30E+5nMAssay Description:Inhibition constant of high-affinity dopamine uptakeMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetCholine O-acetyltransferase(RAT)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048111((2,3-Dihydroxy-phenyl)-trimethyl-ammonium; iodide ...)copy SMILEScopy InChI
Affinity DataKi:  1.50E+7nMAssay Description:Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetCholine O-acetyltransferase(RAT)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50048110(CHEMBL57055 | [2-(3,4-Dihydroxy-phenyl)-2-hydroxy-...)copy SMILEScopy InChI
Affinity DataKi:  2.50E+7nMAssay Description:Enzyme inhibition dissociation constant for choline acetyl transferase (ChAcT) was determinedMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2RX9B5JPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
University of Toledo

Curated by ChEMBL
LigandPNGBDBM50276903(CHEMBL4171764)copy SMILEScopy InChI
Affinity DataIC50: 2.60nMAssay Description:Inhibition of EGFR1 (unknown origin) after 1 hr in presence of adenosine 5'[gamma-33P]triphosphate by microbeta microplate counting methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2794760PubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588561(CHEMBL5193020)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588560(CHEMBL5172507)copy SMILES
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588568(CHEMBL5186798)copy SMILES
Affinity DataIC50: 10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 20nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMedDrugBank
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588563(CHEMBL5174162)copy SMILES
Affinity DataIC50: 24nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588567(CHEMBL5181798)copy SMILES
Affinity DataIC50: 25nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50380399(CHEMBL2018302 | Tubastatin A | US10227295, Compoun...)copy SMILEScopy InChI
Affinity DataIC50: 31nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 33nMMore data for this Ligand-Target Pair
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 53nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMedDrugBank
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50588560(CHEMBL5172507)copy SMILES
Affinity DataIC50: 56nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50588560(CHEMBL5172507)copy SMILES
Affinity DataIC50: 60nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50588568(CHEMBL5186798)copy SMILES
Affinity DataIC50: 72nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50588560(CHEMBL5172507)copy SMILES
Affinity DataIC50: 78nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 3(Homo sapiens (Human))TBA
LigandPNGBDBM50588568(CHEMBL5186798)copy SMILES
Affinity DataIC50: 91nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM19149(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)copy SMILEScopy InChI
Affinity DataIC50: 96nMMore data for this Ligand-Target Pair
TargetHistone deacetylase 2(Homo sapiens (Human))TBA
LigandPNGBDBM50588568(CHEMBL5186798)copy SMILES
Affinity DataIC50: 120nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50588567(CHEMBL5181798)copy SMILES
Affinity DataIC50: 130nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588569(CHEMBL5170140)copy SMILES
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588564(CHEMBL5206154)copy SMILES
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588570(CHEMBL5181479)copy SMILES
Affinity DataIC50: 160nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 1(Homo sapiens (Human))TBA
LigandPNGBDBM50588563(CHEMBL5174162)copy SMILES
Affinity DataIC50: 170nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetHistone deacetylase 6(Homo sapiens (Human))TBA
LigandPNGBDBM50588565(CHEMBL5204550)copy SMILES
Affinity DataIC50: 170nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(RAT)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM39341(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)copy SMILEScopy InChI
Affinity DataIC50: 170nMAssay Description:Inhibition of binding of [3H]l-quinuclidinyl benzilate ([3H]L-QNB) to muscarinic acetylcholine receptor of Primary olfactory cortex region of forebra...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J968MBPubMed
TargetHistone deacetylase 8(Homo sapiens (Human))TBA
LigandPNGBDBM50588560(CHEMBL5172507)copy SMILES
Affinity DataIC50: 180nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2C53QTBPubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(RAT)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM39341(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)copy SMILEScopy InChI
Affinity DataIC50: 190nMAssay Description:Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of dentate gyrus region of forebrainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J968MBPubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(RAT)
University of Toledo

Curated by ChEMBL
LigandPNGBDBM39341(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)copy SMILEScopy InChI
Affinity DataIC50: 210nMAssay Description:Inhibition of binding of [3H]L-quinuclidinyl benzilate ([3H]-l-QNB) to muscarinic acetylcholine receptor of ventral dentate gyrus region of forebrainMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2J968MBPubMed
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