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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'heym' and Initial = 'jh'   
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
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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PubMed
250n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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322n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50166909
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES C1C2CNCC1c1ccccc21
Show InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
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370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50166907
PNG
(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-...)
Show SMILES [O-][N+](=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12N2O2/c14-13(15)9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12H,3,5-6H2
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690n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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3.54E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50166909
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES C1C2CNCC1c1ccccc21
Show InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
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>5.00E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
Acetylcholine receptor subunit alpha/beta/delta/gamma


(Torpedo californica)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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6.27E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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6.29E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50166907
PNG
(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-...)
Show SMILES [O-][N+](=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12N2O2/c14-13(15)9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12H,3,5-6H2
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7.34E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha-7 subunit in rat GH4C1 cells


J Med Chem 48: 3474-7 (2005)


Article DOI: 10.1021/jm050069n
BindingDB Entry DOI: 10.7270/Q2N87BJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015711
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
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n/an/a 0.800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015714
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...)
Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015712
PNG
(5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
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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n/an/a 3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine 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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n/an/a 3.10n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for its activity by binding to Dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand.


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015709
PNG
(5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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n/an/a 3.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM31023
PNG
(3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole | CHE...)
Show SMILES C1CC(=CCN1)c1c[nH]c2ccccc12 |c:2|
Show InChI InChI=1S/C13H14N2/c1-2-4-13-11(3-1)12(9-15-13)10-5-7-14-8-6-10/h1-5,9,14-15H,6-8H2
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50007559
PNG
(5-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-1,3...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
Show InChI InChI=1S/C24H25N3O/c28-24-17-20-16-18(8-9-22(20)25-24)10-11-26-12-14-27(15-13-26)23-7-3-5-19-4-1-2-6-21(19)23/h1-9,16H,10-15,17H2,(H,25,28)
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n/an/a 4.87n/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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
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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n/an/a 5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT as the radioligand.


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
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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n/an/a 5.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50007556
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2o1
Show InChI InChI=1S/C23H23N3O2/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 6.20n/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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50007557
PNG
(3,3-Dimethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-y...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O/c1-26(2)22-18-19(10-11-23(22)27-25(26)30)12-13-28-14-16-29(17-15-28)24-9-5-7-20-6-3-4-8-21(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
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n/an/a 6.90n/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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50007562
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES Nc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
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n/an/a 11n/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)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015709
PNG
(5-Bromo-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES Brc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13BrN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM84737
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1,4-dihydro-py...)
Show SMILES O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1 |t:8|
Show InChI InChI=1S/C12H11N3O/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8/h1-3,7,13H,4-6H2
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM81497
PNG
(4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrr...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
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n/an/a 19n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015717
PNG
(5-Chloro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Clc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13ClN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 26n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50007406
PNG
(1-(3-(trifluoromethyl)phenyl)piperazine | 1-(3-Tri...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
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n/an/a 27n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1B receptor of rat cortex using [3H]-5-HT


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015714
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indol-5-ol ...)
Show SMILES Oc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H14N2O/c16-10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-16H,4-6H2
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n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015711
PNG
(3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-1H-indole-5-ca...)
Show SMILES N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H13N3/c15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11/h1-3,7,9,16-17H,4-6H2
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM81497
PNG
(4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrr...)
Show SMILES CN1CCN(CC1)c1nc2cc(ccc2n2cccc12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N4/c1-22-7-9-23(10-8-22)16-15-3-2-6-24(15)14-5-4-12(17(18,19)20)11-13(14)21-16/h2-6,11H,7-10H2,1H3
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n/an/a 35n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015718
PNG
(5-Nitro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-ind...)
Show SMILES [O-][N+](=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:10|
Show InChI InChI=1S/C13H13N3O2/c17-16(18)10-1-2-13-11(7-10)12(8-15-13)9-3-5-14-6-4-9/h1-3,7-8,14-15H,4-6H2
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015710
PNG
(4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]q...)
Show SMILES FC(F)(F)c1ccc2c(c1)nc(N1CCNCC1)c1cccn21
Show InChI InChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
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n/an/a 37n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007559
PNG
(5-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-1,3...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
Show InChI InChI=1S/C24H25N3O/c28-24-17-20-16-18(8-9-22(20)25-24)10-11-26-12-14-27(15-13-26)23-7-3-5-19-4-1-2-6-21(19)23/h1-9,16H,10-15,17H2,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM81498
PNG
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)
Show SMILES COc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:9|
Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
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n/an/a 39n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against 5-hydroxytryptamine 1D receptor of bovine caudate using [3H]-5-HT as the radioligand


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007556
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2o1
Show InChI InChI=1S/C23H23N3O2/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 44n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50015712
PNG
(5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-in...)
Show SMILES Fc1ccc2[nH]cc(C3=CCNCC3)c2c1 |t:8|
Show InChI InChI=1S/C13H13FN2/c14-10-1-2-13-11(7-10)12(8-16-13)9-3-5-15-6-4-9/h1-3,7-8,15-16H,4-6H2
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n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from rat cortex 5-hydroxytryptamine 1A receptor


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007562
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES Nc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
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n/an/a 72n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007565
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES O=c1[nH]c(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H25N3OS/c29-25-26-23(18-30-25)21-10-8-19(9-11-21)12-13-27-14-16-28(17-15-27)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H,26,29)
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n/an/a 80n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
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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n/an/a 81n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
inhibitory activity against 5-hydroxytryptamine 1C receptor of pig choroid plexus using [3H]-mesulergine as the radioligand


J Med Chem 33: 2087-93 (1990)


BindingDB Entry DOI: 10.7270/Q2GQ6WR3
More data for this
Ligand-Target Pair
D(2) dopamine 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 81.2n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007560
PNG
(1-Naphthalen-1-yl-4-[2-(4-[1,2,3]thiadiazol-4-yl-p...)
Show SMILES C(Cc1ccc(cc1)-c1csnn1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4S/c1-2-6-22-20(4-1)5-3-7-24(22)28-16-14-27(15-17-28)13-12-19-8-10-21(11-9-19)23-18-29-26-25-23/h1-11,18H,12-17H2
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n/an/a 83n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


BindingDB Entry DOI: 10.7270/Q2Q52NK3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007557
PNG
(3,3-Dimethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-y...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O/c1-26(2)22-18-19(10-11-23(22)27-25(26)30)12-13-28-14-16-29(17-15-28)24-9-5-7-20-6-3-4-8-21(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
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n/an/a 86n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


J Med Chem 34: 1860-6 (1991)


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