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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'seeger' and Initial = 't'   
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
Neurokinin 1 receptor


(GUINEA PIG)		BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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 0.170n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig

J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neurokinin 1 receptor


(GUINEA PIG)		BDBM50000041
PNG
((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)
Show SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show InChI InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
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 0.270n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pig

J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 0.710n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
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)		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
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)		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)		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 (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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50007692
PNG
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2
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 2.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
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)
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)
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048806
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show InChI InChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3
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 3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048807
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12
Show InChI InChI=1S/C23H26N4OS/c1-23(2)18-15-16(7-8-19(18)24-22(23)28)9-10-26-11-13-27(14-12-26)21-17-5-3-4-6-20(17)29-25-21/h3-8,15H,9-14H2,1-2H3,(H,24,28)
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 3.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 3.70n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048804
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc2N1
Show InChI InChI=1S/C21H22N4OS/c26-20-14-16-13-15(5-6-18(16)22-20)7-8-24-9-11-25(12-10-24)21-17-3-1-2-4-19(17)27-23-21/h1-6,13H,7-12,14H2,(H,22,26)
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 3.80n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
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)
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048802
PNG
(5'-[2-(4-benzo[d]isothiazol-3-ylhexahydro-1-pyrazi...)
Show SMILES O=C1Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2C11CCCC1
Show InChI InChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30)
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 4.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048805
PNG
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES Fc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21FN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 4.20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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 4.80n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048800
PNG
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2s1
Show InChI InChI=1S/C20H20N4OS2/c25-20-21-16-6-5-14(13-18(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-17(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)
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 5.10n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50048801
PNG
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2o1
Show InChI InChI=1S/C20H20N4O2S/c25-20-21-16-6-5-14(13-17(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-18(15)27-22-19/h1-6,13H,7-12H2,(H,21,25)
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 6.30n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
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 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
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
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
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
Neurokinin 1 receptor


(GUINEA PIG)		BDBM50033658
PNG
(Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Sarcosine-Leu-Met(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C64H100N18O15S/c1-37(2)34-46(58(90)74-42(53(69)85)28-33-98(4,96)97)78-54(86)38(3)73-57(89)47(35-39-16-7-5-8-17-39)80-59(91)48(36-40-18-9-6-10-19-40)79-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-60(92)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-61(93)49-22-14-31-81(49)62(94)41(66)20-13-30-72-64(70)71/h5-10,16-19,37-38,41-50H,11-15,20-36,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,85)(H,73,89)(H,74,90)(H,75,87)(H,76,92)(H,77,93)(H,78,86)(H,79,88)(H,80,91)(H4,70,71,72)/t38-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
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 20n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against NK1 receptor

J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 45n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
In vitro ability of the compound to displace [3H]-ketanserin from 5-hydroxytryptamine 2A receptor in rat brain.

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(GUINEA PIG)		BDBM50001450
PNG
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(N)=O
Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
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 51n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against NK1 receptor

J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 83n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2

J Med Chem 39: 143-8 (1996)


Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0
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)
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)		BDBM50014406
PNG
(2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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 1.22E+3n/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))		BDBM50014406
PNG
(2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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 1.43E+3n/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
Neurokinin 2 receptor


(GUINEA PIG)		BDBM50001447
PNG
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O
Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1
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 3.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity against NK2 receptor

J Med Chem 36: 3197-201 (1993)


Article DOI: 10.1021/jm00073a022
BindingDB Entry DOI: 10.7270/Q29887NM
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))		BDBM20954
PNG
(2-(4-methoxy-2,6-dimethylphenoxy)-3,6-dimethyl-4-(...)
Show SMILES CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(OC)cc2C)c1C
Show InChI InChI=1S/C21H29NO3/c1-8-17(9-2)24-19-12-15(5)22-21(16(19)6)25-20-13(3)10-18(23-7)11-14(20)4/h10-12,17H,8-9H2,1-7H3
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n/an/a 2n/an/an/an/a7.022



Pfizer Inc



Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.

J Med Chem 51: 1377-84 (2008)


Article DOI: 10.1021/jm070578k
BindingDB Entry DOI: 10.7270/Q2F47MDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50007558
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2s1
Show InChI InChI=1S/C23H23N3OS/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.

J Med Chem 34: 1860-6 (1991)


Article DOI: 10.1021/jm00110a016
BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
Corticotropin releasing factor receptor


(Rattus norvegicus (rat))		BDBM20950
PNG
(2-(4-bromo-2,6-dimethylphenoxy)-3,6-dimethyl-4-(pe...)
Show SMILES CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(Br)cc2C)c1C
Show InChI InChI=1S/C20H26BrNO2/c1-7-17(8-2)23-18-11-14(5)22-20(15(18)6)24-19-12(3)9-16(21)10-13(19)4/h9-11,17H,7-8H2,1-6H3
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n/an/a 2.60n/an/an/an/a7.022



Pfizer Inc



Assay Description
The IC50 values were measured by monitoring the inhibition effects of test compounds on [125I]-o-CRF binding to rat cortex in vitro.

J Med Chem 51: 1377-84 (2008)


Article DOI: 10.1021/jm070578k
BindingDB Entry DOI: 10.7270/Q2F47MDH
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))		BDBM50007563
PNG
(1-Ethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-yl)-et...)
Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc12
Show InChI InChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.

J Med Chem 34: 1860-6 (1991)


Article DOI: 10.1021/jm00110a016
BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
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