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Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'abou-gharbia' and Initial = 'ma'   
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))		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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316677
PNG
(6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316673
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3
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 0.400n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316680
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3
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 0.460n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316684
PNG
(3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1
Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3
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 0.470n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316688
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3
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 0.540n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316682
PNG
(6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3
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 0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316690
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1
Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3
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 0.610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316678
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1
Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3
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 0.630n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316679
PNG
(3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3
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 0.790n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316683
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C29H29F4N5O/c1-39-22-15-19-3-2-8-34-27(19)26(17-22)38-13-11-36(12-14-38)21-6-9-37(10-7-21)25-5-4-24(30)23-16-20(29(31,32)33)18-35-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3
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 0.870n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.900n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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 0.900n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166904
PNG
(CHEMBL193206 | N-{(R)-2-[4-(2,3-Dihydro-benzo[1,4]...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C27H29N5O5/c1-20(29-13-15-30(16-14-29)23-5-4-6-24-26(23)37-18-17-36-24)19-31(25-7-2-3-12-28-25)27(33)21-8-10-22(11-9-21)32(34)35/h2-12,20H,13-19H2,1H3/t20-/m1/s1
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 1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316686
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(cnc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C29H30F3N5O/c1-38-24-17-21-5-3-9-33-28(21)26(18-24)37-14-12-35(13-15-37)23-7-10-36(11-8-23)25-6-2-4-20-16-22(29(30,31)32)19-34-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3
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 1.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166901
PNG
(4-Chloro-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin...)
Show SMILES C[C@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C27H29ClN4O3/c1-20(19-32(25-7-2-3-12-29-25)27(33)21-8-10-22(28)11-9-21)30-13-15-31(16-14-30)23-5-4-6-24-26(23)35-18-17-34-24/h2-12,20H,13-19H2,1H3/t20-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166903
PNG
(4-Cyano-N-{(R)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316685
PNG
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(nc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C29H30F3N5O/c1-38-23-18-21-5-3-11-33-27(21)25(19-23)37-16-14-35(15-17-37)22-9-12-36(13-10-22)24-6-2-4-20-7-8-26(29(30,31)32)34-28(20)24/h2-8,11,18-19,22H,9-10,12-17H2,1H3
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 1.80n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166899
PNG
(CHEMBL435111 | N-{(R)-2-[4-(2,3-Dihydro-benzo[1,4]...)
Show SMILES C[C@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29F3N4O3/c1-20(33-13-15-34(16-14-33)23-5-4-6-24-26(23)38-18-17-37-24)19-35(25-7-2-3-12-32-25)27(36)21-8-10-22(11-9-21)28(29,30)31/h2-12,20H,13-19H2,1H3/t20-/m1/s1
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 1.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316681
PNG
(5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C30H31F4N5O2/c1-40-21-16-19-4-3-9-35-28(19)24(17-21)39-14-12-37(13-15-39)20-7-10-38(11-8-20)23-6-5-22(31)27-25(41-2)18-26(30(32,33)34)36-29(23)27/h3-6,9,16-18,20H,7-8,10-15H2,1-2H3
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 2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316687
PNG
(4-Methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazi...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C30H32F3N5O2/c1-39-22-17-20-5-4-10-34-28(20)25(18-22)38-15-13-36(14-16-38)21-8-11-37(12-9-21)24-7-3-6-23-26(40-2)19-27(30(31,32)33)35-29(23)24/h3-7,10,17-19,21H,8-9,11-16H2,1-2H3
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 2.10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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 3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166902
PNG
(CHEMBL195425 | N-{(S)-2-[4-(2,3-Dihydro-benzo[1,4]...)
Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C27H29N5O5/c1-20(29-13-15-30(16-14-29)23-5-4-6-24-26(23)37-18-17-36-24)19-31(25-7-2-3-12-28-25)27(33)21-8-10-22(11-9-21)32(34)35/h2-12,20H,13-19H2,1H3/t20-/m0/s1
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 3.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316675
PNG
(6-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(F)cc3cccnc23)c2ncccc2c1
Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3
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 3.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50316676
PNG
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)
Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3ccc(nc23)C(F)(F)F)c2ncccc2c1
Show InChI InChI=1S/C29H29F4N5O/c1-39-21-17-19-3-2-10-34-27(19)25(18-21)38-15-13-36(14-16-38)20-8-11-37(12-9-20)24-6-5-23(30)22-4-7-26(29(31,32)33)35-28(22)24/h2-7,10,17-18,20H,8-9,11-16H2,1H3
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 3.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

J Med Chem 53: 4066-84 (2010)


Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166900
PNG
(4-Chloro-N-{(S)-2-[4-(2,3-dihydro-benzo[1,4]dioxin...)
Show SMILES C[C@@H](CN(C(=O)c1ccc(Cl)cc1)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C27H29ClN4O3/c1-20(19-32(25-7-2-3-12-29-25)27(33)21-8-10-22(28)11-9-21)30-13-15-31(16-14-30)23-5-4-6-24-26(23)35-18-17-34-24/h2-12,20H,13-19H2,1H3/t20-/m0/s1
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 5.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166906
PNG
(CHEMBL365350 | N-{(S)-2-[4-(2,3-Dihydro-benzo[1,4]...)
Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)C(F)(F)F)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29F3N4O3/c1-20(33-13-15-34(16-14-33)23-5-4-6-24-26(23)38-18-17-37-24)19-35(25-7-2-3-12-32-25)27(36)21-8-10-22(11-9-21)28(29,30)31/h2-12,20H,13-19H2,1H3/t20-/m0/s1
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 8.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50166905
PNG
(4-Cyano-N-{(S)-2-[4-(2,3-dihydro-benzo[1,4]dioxin-...)
Show SMILES C[C@@H](CN(C(=O)c1ccc(cc1)C#N)c1ccccn1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C28H29N5O3/c1-21(31-13-15-32(16-14-31)24-5-4-6-25-27(24)36-18-17-35-25)20-33(26-7-2-3-12-30-26)28(34)23-10-8-22(19-29)9-11-23/h2-12,21H,13-18,20H2,1H3/t21-/m0/s1
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 9.20n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of 8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in chinese hamster ovary cells

J Med Chem 48: 3467-70 (2005)


Article DOI: 10.1021/jm049493z
BindingDB Entry DOI: 10.7270/Q2S1838Z
More data for this
Ligand-Target Pair
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