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Compile Data Set for Download or QSAR

Found 144 hits with Last Name = 'nagel' and Initial = 'aa'   
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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0.700n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50014174
PNG
(2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole | CHE...)
Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15)
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0.990n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013046
PNG
(1-(Thiophen-2-ylmethyl)guanidine | CHEMBL93064 | N...)
Show SMILES NC(=N)NCc1cccs1
Show InChI InChI=1S/C6H9N3S/c7-6(8)9-4-5-2-1-3-10-5/h1-3H,4H2,(H4,7,8,9)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013045
PNG
(3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...)
Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013044
PNG
(1-Benzylguanidine | CHEMBL288640 | N-Benzyl-guanid...)
Show SMILES NC(=N)NCc1ccccc1
Show InChI InChI=1S/C8H11N3/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,9,10,11)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013040
PNG
(CHEMBL93244 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...)
Show SMILES CN(Cc1nc(cs1)-c1c[nH]c2ccccc12)C(N)=N
Show InChI InChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16)
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>1n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus (house mouse))
BDBM50000492
PNG
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2
Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
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1.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(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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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antibacterial activity against Escherichia coli DHFR


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279827
PNG
(2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-2,3-dihydr...)
Show SMILES O=C[C@@H]1CCCN1C(=O)C1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22N2O4/c25-14-18-10-6-12-23(18)21(26)20-13-17-9-4-5-11-19(17)24(20)22(27)28-15-16-7-2-1-3-8-16/h1-5,7-9,11,14,18,20H,6,10,12-13,15H2/t18-,20?/m0/s1
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2.40n/an/an/an/a 0.000300 1.40E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
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
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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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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
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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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prolyl endopeptidase


(Mus musculus)
BDBM50279826
PNG
((1S,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18-/m0/s1
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3n/an/an/an/a 0.000700 2.30E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/a 0.00200 7.00E+5n/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the enzyme kinetic data (kon) for binding inhibition against Prolyl Endopeptidase (PEP)


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
Prolyl endopeptidase


(Mus musculus)
BDBM50279825
PNG
((1R,2S)-2-((S)-2-Formyl-pyrrolidine-1-carbonyl)-cy...)
Show SMILES O=C[C@@H]1CCCN1C(=O)[C@H]1CCCC[C@H]1C(=O)OCc1ccccc1
Show InChI InChI=1S/C20H25NO4/c22-13-16-9-6-12-21(16)19(23)17-10-4-5-11-18(17)20(24)25-14-15-7-2-1-3-8-15/h1-3,7-8,13,16-18H,4-6,9-12,14H2/t16-,17-,18+/m0/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for binding inhibition against Prolyl Endopeptidase (PEP).


Bioorg Med Chem Lett 1: 585-590 (1991)


Article DOI: 10.1016/S0960-894X(01)81156-2
BindingDB Entry DOI: 10.7270/Q2SQ909F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50013039
PNG
(CHEMBL40260 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...)
Show SMILES NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50013039
PNG
(CHEMBL40260 | N-[4-(1H-Indol-3-yl)-thiazol-2-ylmet...)
Show SMILES NC(=N)NCc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C13H13N5S/c14-13(15)17-6-12-18-11(7-19-12)9-5-16-10-4-2-1-3-8(9)10/h1-5,7,16H,6H2,(H4,14,15,17)
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3.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase of Escherichia coli


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
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
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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3.80n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50014407
PNG
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)
Show SMILES C1CN(CCN1)c1ccc2ccccc2n1
Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
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8.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
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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10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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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10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
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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12n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50014600
PNG
(3-[2-(1H-Imidazol-4-ylmethyl)-thiazol-4-yl]-1H-ind...)
Show SMILES C(c1cnc[nH]1)c1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C15H12N4S/c1-2-4-13-11(3-1)12(7-17-13)14-8-20-15(19-14)5-10-6-16-9-18-10/h1-4,6-9,17H,5H2,(H,16,18)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
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 Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013038
PNG
(1-(Pyridin-3-ylmethyl)guanidine | CHEMBL93964 | N-...)
Show SMILES NC(=N)NCc1ccccn1
Show InChI InChI=1S/C7H10N4/c8-7(9)11-5-6-3-1-2-4-10-6/h1-4H,5H2,(H4,8,9,11)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3 receptor (5HT3)


(Mus musculus)
BDBM50013042
PNG
(CHEMBL92180 | N-(4-Methyl-thiazol-2-ylmethyl)-guan...)
Show SMILES Cc1csc(CNC(N)=N)n1
Show InChI InChI=1S/C6H10N4S/c1-4-3-11-5(10-4)2-9-6(7)8/h3H,2H2,1H3,(H4,7,8,9)
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116n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity for the 5-hydroxytryptamine 3 receptor was determined with NG-108-15 mouse neuroblastoma-glioma cells


J Med Chem 33: 2721-5 (1990)


Article DOI: 10.1021/jm00172a007
BindingDB Entry DOI: 10.7270/Q2CJ8F2V
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50014601
PNG
(2-(2-Methyl-1H-imidazol-4-ylmethyl)-4-phenyl-thiaz...)
Show SMILES Cc1ncc(Cc2nc(cs2)-c2ccccc2)[nH]1
Show InChI InChI=1S/C14H13N3S/c1-10-15-8-12(16-10)7-14-17-13(9-18-14)11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3,(H,15,16)
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226n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50222218
PNG
(CHEBI:51137 | MIANSERIN | Mianserin)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
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252n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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361n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
The binding affinity was measured for 5-hydroxytryptamine 3 receptor on NG 108-15 cell line of mouse neuroblastoma-glioma cells in presence of [3H]5 ...


J Med Chem 33: 3020-3 (1990)


Article DOI: 10.1021/jm00173a017
BindingDB Entry DOI: 10.7270/Q2VM4FGR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A (5HT1A)


(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



Pfizer Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50013045
PNG
(3-[2-(2-Methyl-imidazol-1-ylmethyl)-thiazol-4-yl]-...)
Show SMILES Cc1nccn1Cc1nc(cs1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C16H14N4S/c1-11-17-6-7-20(11)9-16-19-15(10-21-16)13-8-18-14-5-3-2-4-12(13)14/h2-8,10,18H,9H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 13-6 (1990)


Article DOI: 10.1021/jm00163a003
BindingDB Entry DOI: 10.7270/Q29S1RNB
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(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 Inc

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)


Article DOI: 10.1021/jm00172a006
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



Pfizer Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Dopamine D1 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



Pfizer Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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 Inc

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)


Article DOI: 10.1021/jm00172a006
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



Pfizer Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
Serotonin 2a (5-HT2a) receptor


(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 Inc

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)


Article DOI: 10.1021/jm00172a006
BindingDB Entry DOI: 10.7270/Q2H995S5
More data for this
Ligand-Target Pair
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