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Compile Data Set for Download or QSAR

Found 913 hits with Last Name = 'patel' and Initial = 'u'   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083280
PNG
(Adamantane-1-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C)NC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:23:22:19:26.24.25,23:24:19:27.22.21|
Show InChI InChI=1S/C25H37N3O2/c1-18(26-24(29)25-14-19-11-20(15-25)13-21(12-19)16-25)17-27-7-9-28(10-8-27)22-5-3-4-6-23(22)30-2/h3-6,18-21H,7-17H2,1-2H3,(H,26,29)/t18-,19-,20+,21-,25?/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083308
PNG
(CHEMBL555379 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:15:17:22:19.20.25,THB:18:17:22:19.20.25|
Show InChI InChI=1S/C23H33N3O2/c1-28-21-5-3-2-4-20(21)26-10-8-25(9-11-26)7-6-24-22(27)23-15-17-12-18(16-23)14-19(23)13-17/h2-5,17-19H,6-16H2,1H3,(H,24,27)/t17-,18?,19-,23?/m0/s1
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0.240n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083300
PNG
(Adamantane-1-carboxylic acid [(R)-1-benzyl-2-(4-py...)
Show SMILES O=C(N[C@@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:31:30:33:25.26.27,31:26:33:32.30.29|
Show InChI InChI=1S/C28H37N5O/c34-26(28-17-22-13-23(18-28)15-24(14-22)19-28)31-25(16-21-5-2-1-3-6-21)20-32-9-11-33(12-10-32)27-29-7-4-8-30-27/h1-8,22-25H,9-20H2,(H,31,34)/t22-,23+,24-,25-,28?/m1/s1
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0.430n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083307
PNG
(CHEMBL544163 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:23:22:16.17:19|
Show InChI InChI=1S/C22H30ClN3O/c23-19-2-1-3-20(13-19)26-8-6-25(7-9-26)5-4-24-21(27)22-14-16-10-17(15-22)12-18(22)11-16/h1-3,13,16-18H,4-12,14-15H2,(H,24,27)/t16-,17?,18-,22?/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083288
PNG
(Adamantane-1-carboxylic acid [1-benzyl-2-(4-benzyl...)
Show SMILES O=C(N[C@H](CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:31:34:26.27.28,32:27:34:33.31.30|
Show InChI InChI=1S/C31H41N3O/c35-30(31-19-26-15-27(20-31)17-28(16-26)21-31)32-29(18-24-7-3-1-4-8-24)23-34-13-11-33(12-14-34)22-25-9-5-2-6-10-25/h1-10,26-29H,11-23H2,(H,32,35)/t26-,27+,28-,29?,31?
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0.700n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083278
PNG
(Adamantane-1-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |THB:21:20:17:24.22.23,21:22:17:25.20.19|
Show InChI InChI=1S/C23H32ClN3O/c24-20-2-1-3-21(13-20)27-8-6-26(7-9-27)5-4-25-22(28)23-14-17-10-18(15-23)12-19(11-17)16-23/h1-3,13,17-19H,4-12,14-16H2,(H,25,28)/t17-,18+,19-,23?
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0.890n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083287
PNG
(Adamantane-1-carboxylic acid [2-(4-pyrimidin-2-yl-...)
Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C21H31N5O/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20/h1-3,16-18H,4-15H2,(H,22,27)/t16-,17+,18-,21?
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083277
PNG
(Adamantane-1-carboxylic acid {2-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C24H35N3O2/c1-29-22-5-3-2-4-21(22)27-10-8-26(9-11-27)7-6-25-23(28)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)/t18-,19+,20-,24?
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367721
PNG
(CHEMBL1202512)
Show SMILES O=C1C2C(C3CCC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C24H33N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,8-9,16-21H,1-2,4-7,10-15H2
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367438
PNG
(CHEMBL1743957)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccc4ccccc4n3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C28H23F2N3/c29-20-6-10-23(11-7-20)33-27-12-8-21(30)17-24(27)25-18-32(16-14-28(25)33)15-13-22-9-5-19-3-1-2-4-26(19)31-22/h1-12,17H,13-16,18H2
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1n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367437
PNG
(CHEMBL1743956)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCCCc3ccnc4ccccc34)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C30H27F2N3/c31-22-8-11-24(12-9-22)35-29-13-10-23(32)19-26(29)27-20-34(18-15-30(27)35)17-4-3-5-21-14-16-33-28-7-2-1-6-25(21)28/h1-2,6-14,16,19H,3-5,15,17-18,20H2
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1n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083309
PNG
(Adamantane-1-carboxylic acid [(S)-1-benzyl-2-(4-py...)
Show SMILES O=C(N[C@H](CN1CCN(CC1)c1ncccn1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:31:30:33:25.26.27,31:26:33:32.30.29|
Show InChI InChI=1S/C28H37N5O/c34-26(28-17-22-13-23(18-28)15-24(14-22)19-28)31-25(16-21-5-2-1-3-6-21)20-32-9-11-33(12-10-32)27-29-7-4-8-30-27/h1-8,22-25H,9-20H2,(H,31,34)/t22-,23+,24-,25?,28?
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083286
PNG
(1-Adamantan-1-yl-3-{3-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:26:25:28:21.20.22,26:21:28:25.27.24,18:19:24:21.26.22,THB:18:19:25.26.24:22,27:19:25.26.24:22,20:19:24:21.26.22|
Show InChI InChI=1S/C25H38N4O2/c1-31-23-6-3-2-5-22(23)29-11-9-28(10-12-29)8-4-7-26-24(30)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h2-3,5-6,19-21H,4,7-18H2,1H3,(H2,26,27,30)/t19-,20+,21-,25?
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083283
PNG
(Adamantane-1-carboxylic acid {3-[4-(2-methoxy-phen...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
Show InChI InChI=1S/C25H37N3O2/c1-30-23-6-3-2-5-22(23)28-11-9-27(10-12-28)8-4-7-26-24(29)25-16-19-13-20(17-25)15-21(14-19)18-25/h2-3,5-6,19-21H,4,7-18H2,1H3,(H,26,29)/t19-,20+,21-,25?
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1n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083291
PNG
(Adamantane-1-carboxylic acid [(R)-1-methyl-2-(4-py...)
Show SMILES C[C@H](CN1CCN(CC1)c1ncccn1)NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
Show InChI InChI=1S/C22H33N5O/c1-16(15-26-5-7-27(8-6-26)21-23-3-2-4-24-21)25-20(28)22-12-17-9-18(13-22)11-19(10-17)14-22/h2-4,16-19H,5-15H2,1H3,(H,25,28)/t16-,17-,18+,19-,22?/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367726
PNG
(CHEMBL1202507)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25|
Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367735
PNG
(CHEMBL1204093)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3C=CC43)C2=O)CC1 |c:23,28|
Show InChI InChI=1S/C27H33N3O3/c1-33-23-7-3-2-6-22(23)29-16-14-28(15-17-29)12-4-5-13-30-26(31)24-20-10-11-21(25(24)27(30)32)19-9-8-18(19)20/h2-3,6-11,18-21,24-25H,4-5,12-17H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367719
PNG
(CHEMBL1202513)
Show SMILES O=C1C2C(C3C=CC2C2CCC32)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |c:5|
Show InChI InChI=1S/C24H31N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3,6-9,16-21H,1-2,4-5,10-15H2
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1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(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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1.80n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL




J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083284
PNG
(Adamantane-1-carboxylic acid [1-benzyl-2-(4-benzyl...)
Show SMILES O=C(N[C@@H](CN1CCN(Cc2ccccc2)CC1)Cc1ccccc1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:32:31:34:26.27.28,32:27:34:33.31.30|
Show InChI InChI=1S/C31H41N3O/c35-30(31-19-26-15-27(20-31)17-28(16-26)21-31)32-29(18-24-7-3-1-4-8-24)23-34-13-11-33(12-14-34)22-25-9-5-2-6-10-25/h1-10,26-29H,11-23H2,(H,32,35)/t26-,27+,28-,29-,31?/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083275
PNG
(CHEMBL543927 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES O=C(NCCN1CCN(CC1)c1ncccn1)C12CC3C[C@@H]1C[C@@H](C2)C3 |TLB:1:17:22:19.20.25,THB:18:17:22:19.20.25|
Show InChI InChI=1S/C20H29N5O/c26-18(20-13-15-10-16(14-20)12-17(20)11-15)21-4-5-24-6-8-25(9-7-24)19-22-2-1-3-23-19/h1-3,15-17H,4-14H2,(H,21,26)/t15-,16?,17-,20?/m0/s1
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2.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083268
PNG
(Adamantane-1-carboxylic acid 2-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCOC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:24:23:26:18.19.20,24:19:26:25.23.22|
Show InChI InChI=1S/C24H34N2O3/c1-28-22-5-3-2-4-21(22)26-8-6-25(7-9-26)10-11-29-23(27)24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3/t18-,19+,20-,24?
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2.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083282
PNG
(CHEMBL558411 | Hexahydro-2,5-methano-pentalene-3a-...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:16:18:23:20.21.26,THB:19:18:23:20.21.26|
Show InChI InChI=1S/C24H35N3O2/c1-29-22-6-3-2-5-21(22)27-11-9-26(10-12-27)8-4-7-25-23(28)24-16-18-13-19(17-24)15-20(24)14-18/h2-3,5-6,18-20H,4,7-17H2,1H3,(H,25,28)/t18-,19?,20-,24?/m0/s1
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3.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50367417
PNG
(CHEMBL1743943)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C24H21F2N3/c25-17-4-7-20(8-5-17)29-23-9-6-18(26)15-21(23)22-16-28(14-11-24(22)29)13-10-19-3-1-2-12-27-19/h1-9,12,15H,10-11,13-14,16H2
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3.60n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL




J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
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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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]-spiperone


J Med Chem 30: 1100-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K35SNV
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Homo sapiens (Human))
BDBM50367250
PNG
(3-DEAZAARISTEROMYCIN A | CHEMBL268272)
Show SMILES Nc1nccc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C12H16N4O3/c13-12-9-7(1-2-14-12)16(5-15-9)8-3-6(4-17)10(18)11(8)19/h1-2,5-6,8,10-11,17-19H,3-4H2,(H2,13,14)/t6-,8-,10-,11+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against S-adenosyl-homocysteine hydrolase


J Med Chem 28: 471-7 (1985)


BindingDB Entry DOI: 10.7270/Q21C1XF3
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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4n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083276
PNG
(CHEMBL553514 | N-{3-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)CC23C[C@H]4C[C@H](C[C@](C)(C4)C2)C3)CC1 |TLB:26:25:20:23.29.22,THB:24:25:20:23.29.22,24:23:20:25.28.27|
Show InChI InChI=1S/C27H41N3O2/c1-26-15-21-14-22(16-26)18-27(17-21,20-26)19-25(31)28-8-5-9-29-10-12-30(13-11-29)23-6-3-4-7-24(23)32-2/h3-4,6-7,21-22H,5,8-20H2,1-2H3,(H,28,31)/t21-,22+,26-,27?
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4.40n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083304
PNG
((2S,6aR)-Hexahydro-2,5-methano-pentalene-3a-carbox...)
Show SMILES COc1ccccc1N1CCN(CCOC(=O)C23CC4C[C@@H]2C[C@@H](C3)C4)CC1 |TLB:15:17:22:19.20.25,THB:18:17:22:19.20.25|
Show InChI InChI=1S/C23H32N2O3/c1-27-21-5-3-2-4-20(21)25-8-6-24(7-9-25)10-11-28-22(26)23-15-17-12-18(16-23)14-19(23)13-17/h2-5,17-19H,6-16H2,1H3/t17-,18?,19-,23?/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367419
PNG
(CHEMBL1743958)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3cnccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C23H20F2N4/c24-16-1-4-19(5-2-16)29-22-6-3-17(25)13-20(22)21-15-28(12-8-23(21)29)11-7-18-14-26-9-10-27-18/h1-6,9-10,13-14H,7-8,11-12,15H2
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5n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367733
PNG
(CHEMBL1202527)
Show SMILES O=C1C2C(C3CCC2CCC3)C(=O)N1CCCCN1CCN(CC1)c1ncccn1 |TLB:11:3:8.9.10:5.6,THB:1:2:8.9.10:5.6|
Show InChI InChI=1S/C23H33N5O2/c29-21-19-17-5-3-6-18(8-7-17)20(19)22(30)28(21)12-2-1-11-26-13-15-27(16-14-26)23-24-9-4-10-25-23/h4,9-10,17-20H,1-3,5-8,11-16H2
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5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367433
PNG
(CHEMBL1743945)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCCCc3ccncc3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C26H25F2N3/c27-20-4-7-22(8-5-20)31-25-9-6-21(28)17-23(25)24-18-30(16-12-26(24)31)15-2-1-3-19-10-13-29-14-11-19/h4-11,13-14,17H,1-3,12,15-16,18H2
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7n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]-Spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may ...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50367417
PNG
(CHEMBL1743943)
Show SMILES Fc1ccc(cc1)-n1c2CCN(CCc3ccccn3)Cc2c2cc(F)ccc12
Show InChI InChI=1S/C24H21F2N3/c25-17-4-7-20(8-5-17)29-23-9-6-18(26)15-21(23)22-16-28(14-11-24(22)29)13-10-19-3-1-2-12-27-19/h1-9,12,15H,10-11,13-14,16H2
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7n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL


Assay Description
In vitro Dopamine receptor D2 affinity by using [3H]spiperone as the radioligand in rat limbic system at 1 uM concentration of compound ; value may r...


J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50367736
PNG
(CHEMBL1202530)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C23C4CCC(C4)C12C1CCC3C1 |THB:1:27:23.24:26,1:27:29.30:32,19:21:23.24:26,19:21:29.30:32,(-1.53,1.64,;-2.57,.98,;-3.71,1.52,;-4.21,2.97,;-3.19,4.13,;-3.69,5.59,;-2.68,6.75,;-3.17,8.21,;-2.16,9.37,;-2.66,10.83,;-4.17,11.12,;-5.18,9.96,;-4.68,8.51,;-4.67,12.58,;-3.66,13.74,;-4.16,15.2,;-5.68,15.49,;-6.69,14.33,;-6.18,12.87,;-4.37,.07,;-5.4,-.01,;-3.27,-1.59,;-1.93,-1.23,;-.57,-1.59,;.11,-.39,;-1.23,,;-1.64,1,;-2.57,-.39,;-4.3,-.86,;-4.27,-2.5,;-4.96,-3.71,;-5,-2.02,;-5.66,-.5,)|
Show InChI InChI=1S/C26H35N5O2/c32-22-25-18-4-5-19(16-18)26(25,21-7-6-20(25)17-21)23(33)31(22)11-2-1-10-29-12-14-30(15-13-29)24-27-8-3-9-28-24/h3,8-9,18-21H,1-2,4-7,10-17H2
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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083299
PNG
(1-Adamantan-1-yl-3-[3-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES O=C(NCCCN1CCN(CC1)c1ncccn1)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
Show InChI InChI=1S/C22H34N6O/c29-21(26-22-14-17-11-18(15-22)13-19(12-17)16-22)25-5-2-6-27-7-9-28(10-8-27)20-23-3-1-4-24-20/h1,3-4,17-19H,2,5-16H2,(H2,25,26,29)/t17-,18+,19-,22?
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7n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083271
PNG
(Adamantane-1-carboxylic acid 3-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCOC(=O)C23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:19.20.21,25:20:27:26.24.23|
Show InChI InChI=1S/C25H36N2O3/c1-29-23-6-3-2-5-22(23)27-10-8-26(9-11-27)7-4-12-30-24(28)25-16-19-13-20(17-25)15-21(14-19)18-25/h2-3,5-6,19-21H,4,7-18H2,1H3/t19-,20+,21-,25?
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8.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083272
PNG
(Adamantane-1-carboxylic acid 2-(4-pyrimidin-2-yl-p...)
Show SMILES O=C(OCCN1CCN(CC1)c1ncccn1)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:20:21:25:18.19.24,THB:20:19:25:26.21.22|
Show InChI InChI=1S/C21H30N4O2/c26-19(21-13-16-10-17(14-21)12-18(11-16)15-21)27-9-8-24-4-6-25(7-5-24)20-22-2-1-3-23-20/h1-3,16-18H,4-15H2/t16-,17+,18-,21?
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8.5n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083296
PNG
(CHEMBL554204 | N-Adamantan-1-yl-3-[4-(2-methoxy-ph...)
Show SMILES COc1ccccc1N1CCN(CCC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:16:17:23.24.22:20,THB:16:17:22:19.24.20,25:17:23.24.22:20,18:17:22:19.24.20,18:19:17.26.25:22|
Show InChI InChI=1S/C24H35N3O2/c1-29-22-5-3-2-4-21(22)27-10-8-26(9-11-27)7-6-23(28)25-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H,25,28)/t18-,19+,20-,24?
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9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50083292
PNG
(1-Adamantan-1-yl-3-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)NC23C[C@H]4C[C@H](C[C@H](C4)C2)C3)CC1 |TLB:25:24:27:20.19.21,25:20:27:24.26.23,17:18:23:20.21.25,THB:17:18:21:24.23.25,26:18:21:24.23.25,19:18:23:20.21.25|
Show InChI InChI=1S/C24H36N4O2/c1-30-22-5-3-2-4-21(22)28-10-8-27(9-11-28)7-6-25-23(29)26-24-15-18-12-19(16-24)14-20(13-18)17-24/h2-5,18-20H,6-17H2,1H3,(H2,25,26,29)/t18-,19+,20-,24?
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9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020115
PNG
(4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...)
Show SMILES O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2
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9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity for dopamine receptor D2 of rat nucleus accumbens labeled with [3H]-spiperone


J Med Chem 30: 1100-5 (1987)


BindingDB Entry DOI: 10.7270/Q2K35SNV
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Antagonist activity against rat hippocampal tissue 5-hydroxytryptamine 1A receptor


J Med Chem 42: 5077-94 (2000)


BindingDB Entry DOI: 10.7270/Q2C82B0P
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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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
Serotonin (5-HT) 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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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(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
Serotonin (5-HT) 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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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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
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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10n/an/an/an/an/an/an/an/a



Wyeth Laboratories

Curated by ChEMBL




J Med Chem 30: 1818-23 (1987)


BindingDB Entry DOI: 10.7270/Q2NS0VG2
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) 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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10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL




J Med Chem 32: 1024-33 (1989)


BindingDB Entry DOI: 10.7270/Q21G0MVD
More data for this
Ligand-Target Pair
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