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PubMed code 2213824

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014156
PNG
(4-(2-Methoxy-phenyl)-2-(5-methyl-1H-imidazol-4-ylm...)
Show SMILES COc1ccccc1-c1csc(Cc2[nH]cnc2C)n1
Show InChI InChI=1S/C15H15N3OS/c1-10-12(17-9-16-10)7-15-18-13(8-20-15)11-5-3-4-6-14(11)19-2/h3-6,8-9H,7H2,1-2H3,(H,16,17)
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0.420n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014164
PNG
(8-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1cccc2cccnc12
Show InChI InChI=1S/C17H14N4S/c1-11-14(20-10-19-11)8-16-21-15(9-22-16)13-6-2-4-12-5-3-7-18-17(12)13/h2-7,9-10H,8H2,1H3,(H,19,20)
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1n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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1.80n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50014159
PNG
(4-(2-Fluoro-phenyl)-2-(5-methyl-1H-imidazol-4-ylme...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1F
Show InChI InChI=1S/C14H12FN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-4-2-3-5-11(10)15/h2-5,7-8H,6H2,1H3,(H,16,17)
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1.90n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
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PubMed
2.70n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50013043
PNG
(3-[2-(5-Methyl-1H-imidazol-4-ylmethyl)-thiazol-4-y...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-10-14(19-9-18-10)6-16-20-15(8-21-16)12-7-17-13-5-3-2-4-11(12)13/h2-5,7-9,17H,6H2,1H3,(H,18,19)
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12n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
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16n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2 in Neuroblastoma-Glioma NG-108-15 cells


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1B receptor was determined by using [3H]5-HT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(BOVINE)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2 receptor was determined by using [3H]ketanserin as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Beta adrenergic receptor was determined by using [3H]dihydroalprenolol as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 was determined by using [3H]naloxone as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Rattus norvegicus (Rat))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1C receptor was determined by using [3H]- mesulergine as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Muscarinic acetylcholine receptor was determined by using [3H]QNB as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for Sigma opioid receptor was determined by using [3H](+)-3-(3-hydroxyphenyl)N-1-propyl-piperdine((+)-3-PPP) as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(Rattus norvegicus (rat))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor was determined by using [3H]prazosin as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D2 was determined by using [3H]spiperone as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Mus musculus (Mouse))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for Dopamine receptor D1 was determined by using [3H]SCH-23390 as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1D receptor was determined by using [3H]5-HT as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Rattus norvegicus)
BDBM50014154
PNG
(2-(5-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1nc[nH]c1Cc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H13N3S/c1-10-12(16-9-15-10)7-14-17-13(8-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer central Research

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-2 adrenergic receptor was determined by using [3H]p-aminoclonidine as radioligand


J Med Chem 33: 2715-20 (1990)


BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%