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PubMed code 2565399

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017434
PNG
(4-{4-[4-(3-trifluoromethylphenyl)hexahydro-1-pyraz...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:25,(15.77,-8.73,;14.27,-8.35,;14.27,-6.8,;15.61,-7.56,;13.2,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.69,-10.36,;11.66,-9.17,;9.17,-10.09,;8.18,-11.28,;6.66,-11.01,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.92,;-6.68,-9.95,;-5.24,-9.41,;-1.06,-9.66,;.13,-8.7,;-2.02,-8.44,;7.12,-8.38,;8.64,-8.66,)|
Show InChI InChI=1S/C25H30F3N3O3S/c26-25(27,28)16-4-3-5-17(14-16)30-12-10-29(11-13-30)8-1-2-9-31-24(32)22-18-6-7-19(21-15-20(18)21)23(22)35(31,33)34/h3-7,14,18-23H,1-2,8-13,15H2
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 4n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 3 -5

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017437
PNG
(1,1-Dioxo-2-[4-(2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Cl.Cl.O=C1N(CCCCN2CCN(CC2)c2cnccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-19-16-5-1-2-6-17(16)28(26,27)24(19)10-4-3-9-22-11-13-23(14-12-22)18-15-20-7-8-21-18/h1-2,5-8,15H,3-4,9-14H2
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 9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 6 - 13

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017432
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7|
Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2
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 10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-HT1A receptor of rat hippocampus and the value ranges from 9 - 12

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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 10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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 10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017432
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7|
Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2
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 10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-HT1A receptor of rat hippocampus and the value ranges from 9 - 12

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017431
PNG
(4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...)
Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)|
Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2
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 14n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 12 to 17

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017443
PNG
(3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26|
Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2
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 15n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 17.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017447
PNG
(3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C23H30F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-5,15-17,20-21H,1-2,6-14H2
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 16n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 12 to 20.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017435
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES O=C1C2C(C3CCC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H31N5O3S/c28-21-19-15-4-5-16(18-14-17(15)18)20(19)31(29,30)27(21)9-2-1-8-25-10-12-26(13-11-25)22-23-6-3-7-24-22/h3,6-7,15-20H,1-2,4-5,8-14H2
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 21n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus. and the value ranges from 16 - 27

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017442
PNG
(3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C22H28F3N3O4S/c23-22(24,25)15-4-3-5-16(14-15)27-12-10-26(11-13-27)8-1-2-9-28-21(29)19-17-6-7-18(32-17)20(19)33(28,30)31/h3-5,14,17-20H,1-2,6-13H2
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 22n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 15 - 31

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017445
PNG
(4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...)
Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C21H28ClN3O4S/c22-15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-21(26)19-17-6-7-18(29-17)20(19)30(25,27)28/h3-5,14,17-20H,1-2,6-13H2
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 34n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and value ranges from 27 - 42

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017444
PNG
(4-{4-[4-(3-Chloro-phenyl)-piperazin-1-yl]-butyl}-3...)
Show SMILES Cl.Cl.Cl.Clc1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CCC(C4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C22H30ClN3O3S/c23-18-4-3-5-19(15-18)25-12-10-24(11-13-25)8-1-2-9-26-22(27)20-16-6-7-17(14-16)21(20)30(26,28)29/h3-5,15-17,20-21H,1-2,6-14H2
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 45n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 25 - 84

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017433
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C3CCC(C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H29N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3,6-7,15-18H,1-2,4-5,8-14H2
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 53n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 48 to 59

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017443
PNG
(3,3-Dioxo-4-{4-[4-(3-trifluoromethyl-phenyl)-piper...)
Show SMILES Cl.Cl.FC(F)(F)c1cccc(c1)N1CCN(CCCCN2C(=O)C3C4CC(C=C4)C3S2(=O)=O)CC1 |c:26|
Show InChI InChI=1S/C23H28F3N3O3S/c24-23(25,26)18-4-3-5-19(15-18)28-12-10-27(11-13-28)8-1-2-9-29-22(30)20-16-6-7-17(14-16)21(20)33(29,31)32/h3-7,15-17,20-21H,1-2,8-14H2
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 85n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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 119n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to dopamine receptor D2 of rat limbic structures

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017432
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2C=CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,10,TLB:14:5:10.13:8.7,THB:12:13:4.5:8.7,11:10:4.5:8.7|
Show InChI InChI=1S/C23H29N5O3S/c29-22-20-18-6-7-19(17-5-4-16(17)18)21(20)32(30,31)28(22)11-2-1-10-26-12-14-27(15-13-26)23-24-8-3-9-25-23/h3-9,16-21H,1-2,10-15H2
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 136n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures and the value ranges from 116 - 159.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017436
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2
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 434n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus and the value ranges from 245 to 736

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017441
PNG
(2-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C19H22ClN5O3S/c20-17-18(22-8-7-21-17)24-13-11-23(12-14-24)9-3-4-10-25-19(26)15-5-1-2-6-16(15)29(25,27)28/h1-2,5-8H,3-4,9-14H2
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 493n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures (95%CI) from 375-661

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50017440
PNG
(4-[4-(6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C19H26ClN5O4S/c20-15-11-21-12-16(22-15)24-9-7-23(8-10-24)5-1-2-6-25-19(26)17-13-3-4-14(29-13)18(17)30(25,27)28/h11-14,17-18H,1-10H2
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 550n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus (94%CI) from 391-841

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017431
PNG
(4-{4-[4-(6-chloro-2-pyrazinyl)hexahydro-1-pyraziny...)
Show SMILES Clc1cncc(n1)N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)S2(=O)=O)CC1 |c:22,(13.95,-8.09,;13.19,-9.44,;13.72,-10.89,;12.72,-12.08,;11.21,-11.81,;10.68,-10.36,;11.66,-9.17,;9.17,-10.08,;8.64,-8.66,;7.12,-8.38,;6.13,-9.56,;4.63,-9.28,;3.64,-10.44,;2.12,-10.15,;1.11,-11.33,;-.41,-11.04,;-1.48,-12.08,;-1.24,-13.61,;-2.86,-11.37,;-2.6,-9.86,;-3.79,-8.88,;-3.38,-10.37,;-4.92,-10.37,;-4.17,-11.69,;-5.49,-10.94,;-6.68,-9.92,;-5.21,-9.4,;-1.06,-9.65,;-2.02,-8.44,;.13,-8.7,;6.66,-11.01,;8.17,-11.27,)|
Show InChI InChI=1S/C22H28ClN5O3S/c23-18-12-24-13-19(25-18)27-9-7-26(8-10-27)5-1-2-6-28-22(29)20-14-3-4-15(17-11-16(14)17)21(20)32(28,30)31/h3-4,12-17,20-21H,1-2,5-11H2
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 1.03E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017436
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C3CC(C=C3)C2S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:6|
Show InChI InChI=1S/C20H27N5O3S/c26-19-17-15-4-5-16(14-15)18(17)29(27,28)25(19)9-2-1-8-23-10-12-24(13-11-23)20-21-6-3-7-22-20/h3-7,15-18H,1-2,8-14H2
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 1.10E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017438
PNG
(4-{4-[4-(2-pyrimidinyl)hexahydro-1-pyrazinyl]butyl...)
Show SMILES Cl.Cl.O=C1C2C(C3C=CC2C2CC32)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5,THB:3:4:10.12:8.7,11:10:4.5:8.7,11:12:4.5:8.7|
Show InChI InChI=1S/C22H29N5O3S/c28-21-19-15-4-5-16(18-14-17(15)18)20(19)31(29,30)27(21)9-2-1-8-25-10-12-26(13-11-25)22-23-6-3-7-24-22/h3-7,15-20H,1-2,8-14H2
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 1.41E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017439
PNG
(3,3-Dioxo-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES Cl.Cl.O=C1C2C(C3CCC2C=C3)S(=O)(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:9|
Show InChI InChI=1S/C21H29N5O3S/c27-20-18-16-4-6-17(7-5-16)19(18)30(28,29)26(20)11-2-1-10-24-12-14-25(15-13-24)21-22-8-3-9-23-21/h3-4,6,8-9,16-19H,1-2,5,7,10-15H2
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 2.00E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50017446
PNG
(4-[4-(3'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazin...)
Show SMILES Clc1nccnc1N1CCN(CCCCN2C(=O)C3C4CCC(O4)C3S2(=O)=O)CC1
Show InChI InChI=1S/C19H26ClN5O4S/c20-17-18(22-6-5-21-17)24-11-9-23(10-12-24)7-1-2-8-25-19(26)15-13-3-4-14(29-13)16(15)30(25,27)28/h5-6,13-16H,1-4,7-12H2
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 3.30E+3n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]spiperone binding to Dopamine receptor D2 of rat limbic structures.

J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%