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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'campbell' and Initial = 'ib'   
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 1D


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 0.126n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor beta

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 1.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1D receptor alpha

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 3.20n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469879
PNG
(CHEMBL72088)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-20(5-8-23(22)30-2)24(29)26-21-6-3-18(4-7-21)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29)
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 3.20n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 3.20n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1B receptor in rat striatal membrane with [125I]- iodocyanopindolol

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469882
PNG
(CHEMBL73446)
Show SMILES COCCOC(=O)c1ccc(c(C)c1)-c1ccc(NC(=O)c2ccc(OC)c(CCCN(C)C)c2)cc1
Show InChI InChI=1S/C30H36N2O5/c1-21-19-25(30(34)37-18-17-35-4)10-14-27(21)22-8-12-26(13-9-22)31-29(33)24-11-15-28(36-5)23(20-24)7-6-16-32(2)3/h8-15,19-20H,6-7,16-18H2,1-5H3,(H,31,33)
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 3.20n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469875
PNG
(CHEMBL72981)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-21(7-8-23(22)30-2)26-24(29)20-5-3-18(4-6-20)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29)
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 5n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469881
PNG
(CHEMBL311150)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)
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 5n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50469881
PNG
(CHEMBL311150)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)
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 6.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1B receptor in rat striatal membrane with [125I]- iodocyanopindolol

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469878
PNG
(CHEMBL72700)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(C=O)cc1C
Show InChI InChI=1S/C27H30N2O3/c1-19-16-20(18-30)7-13-25(19)21-8-11-24(12-9-21)28-27(31)23-10-14-26(32-4)22(17-23)6-5-15-29(2)3/h7-14,16-18H,5-6,15H2,1-4H3,(H,28,31)
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 6.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469876
PNG
(CHEMBL306384)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)-c1noc(C)n1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-22(28-30-20(2)37-32-28)7-11-25(19)21-5-9-24(10-6-21)31-29(35)23-8-12-27(36-4)26(18-23)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 6.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))		BDBM50469876
PNG
(CHEMBL306384)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)-c1noc(C)n1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-22(28-30-20(2)37-32-28)7-11-25(19)21-5-9-24(10-6-21)31-29(35)23-8-12-27(36-4)26(18-23)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 6.30n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1B receptor in rat striatal membrane with [125I]- iodocyanopindolol

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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 10n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(GUINEA PIG)		BDBM50469877
PNG
(CHEMBL72092)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-18-16-22(27(31)32)9-13-24(18)19-7-11-23(12-8-19)28-26(30)21-10-14-25(33-4)20(17-21)6-5-15-29(2)3/h7-14,16-17H,5-6,15H2,1-4H3,(H,28,30)(H,31,32)
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 32n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig striatum in presence of BMY-7378 and mesulergine

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469881
PNG
(CHEMBL311150)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)C(=O)N(C)C)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H34N4O3/c1-20-18-23(29(35)31(2)3)10-12-25(20)21-6-8-22(9-7-21)28(34)30-24-11-13-27(36-5)26(19-24)33-16-14-32(4)15-17-33/h6-13,18-19H,14-17H2,1-5H3,(H,30,34)
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 251n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 316n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus with [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenoceptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenoceptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic M1 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic M3 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against muscarinic M2 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469875
PNG
(CHEMBL72981)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccncc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C24H26N4O2/c1-27-13-15-28(16-14-27)22-17-21(7-8-23(22)30-2)26-24(29)20-5-3-18(4-6-20)19-9-11-25-12-10-19/h3-12,17H,13-16H2,1-2H3,(H,26,29)
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 1.26E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus with [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469876
PNG
(CHEMBL306384)
Show SMILES COc1ccc(cc1N1CCN(C)CC1)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)-c1noc(C)n1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-22(28-30-20(2)37-32-28)7-11-25(19)21-5-9-24(10-6-21)31-29(35)23-8-12-27(36-4)26(18-23)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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 1.26E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469878
PNG
(CHEMBL72700)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(C=O)cc1C
Show InChI InChI=1S/C27H30N2O3/c1-19-16-20(18-30)7-13-25(19)21-8-11-24(12-9-21)28-27(31)23-10-14-26(32-4)22(17-23)6-5-15-29(2)3/h7-14,16-18H,5-6,15H2,1-4H3,(H,28,31)
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 5.01E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469880
PNG
(CHEMBL75771)
Show SMILES CCOc1ccc(NC(=O)c2ccc(OC)c(CCCN(C)C)c2)cc1
Show InChI InChI=1S/C21H28N2O3/c1-5-26-19-11-9-18(10-12-19)22-21(24)17-8-13-20(25-4)16(15-17)7-6-14-23(2)3/h8-13,15H,5-7,14H2,1-4H3,(H,22,24)
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 6.31E+3n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D4 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50469877
PNG
(CHEMBL72092)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C27H30N2O4/c1-18-16-22(27(31)32)9-13-24(18)19-7-11-23(12-8-19)28-26(30)21-10-14-25(33-4)20(17-21)6-5-15-29(2)3/h7-14,16-17H,5-6,15H2,1-4H3,(H,28,30)(H,31,32)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D2 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D1

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine D3 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Mus musculus (Mouse))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Tested for 5-hydroxytryptamine receptor uptake

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))		BDBM79215
PNG
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)
Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)
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<1.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 4 receptor

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50060518
PNG
(3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-...)
Show SMILES COc1ccc(cc1CCCN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
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 2.00E+4n/an/an/an/an/an/an/an/a



Glaxo Research and Development Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor in rat hippocampus using [3H]8-OH-DPAT

J Med Chem 37: 2253-7 (1994)


Article DOI: 10.1021/jm00041a001
BindingDB Entry DOI: 10.7270/Q29889QB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297695
PNG
(2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(CC2CCCCC2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297696
PNG
(4-(4-fluorophenyl)-2-((1-methyl-1H-pyrrol-2-yl)met...)
Show SMILES Cn1cccc1Cc1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20FN3O2S/c1-27-13-3-4-19(27)14-22-25-15-21(16-7-11-20(12-8-16)30(2,28)29)23(26-22)17-5-9-18(24)10-6-17/h3-13,15H,14H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297709
PNG
(2-((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2O)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)20-12-8-16(9-13-20)21-15-26-23(14-18-4-2-3-5-22(18)28)27-24(21)17-6-10-19(25)11-7-17/h2-13,15,28H,14H2,1H3
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n/an/a 43n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297697
PNG
(4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)-N-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Nc2ccccc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H18FN3O2S/c1-30(28,29)20-13-9-16(10-14-20)21-15-25-23(26-19-5-3-2-4-6-19)27-22(21)17-7-11-18(24)12-8-17/h2-15H,1H3,(H,25,26,27)
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n/an/a 56n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297708
PNG
((4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)py...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(nc1-c1ccc(F)cc1)C(O)c1ccccc1
Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)20-13-9-16(10-14-20)21-15-26-24(23(28)18-5-3-2-4-6-18)27-22(21)17-7-11-19(25)12-8-17/h2-15,23,28H,1H3
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n/an/a 57n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50029616
PNG
(5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12F4N2O2S/c1-26(24,25)14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 66n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297698
PNG
(4-(4-fluorophenyl)-N-methyl-5-(4-(methylsulfonyl)p...)
Show SMILES CN(c1ccccc1)c1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3
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n/an/a 85n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297699
PNG
(2-benzyl-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3
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n/an/a 104n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297700
PNG
(2-(2,4-difluorobenzyl)-4-(4-fluorophenyl)-5-(4-(me...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccc(F)cc2F)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H17F3N2O2S/c1-32(30,31)20-10-5-15(6-11-20)21-14-28-23(12-17-4-9-19(26)13-22(17)27)29-24(21)16-2-7-18(25)8-3-16/h2-11,13-14H,12H2,1H3
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n/an/a 114n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297701
PNG
(2-(4-fluorobenzyl)-4-(4-fluorophenyl)-5-(4-(methyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccc(F)cc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H18F2N2O2S/c1-31(29,30)21-12-6-17(7-13-21)22-15-27-23(14-16-2-8-19(25)9-3-16)28-24(22)18-4-10-20(26)11-5-18/h2-13,15H,14H2,1H3
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n/an/a 277n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297702
PNG
(CHEMBL562768 | N-benzyl-4-(4-fluorophenyl)-5-(4-(m...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O2S/c1-31(29,30)21-13-9-18(10-14-21)22-16-27-24(26-15-17-5-3-2-4-6-17)28-23(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3,(H,26,27,28)
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n/an/a 686n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297710
PNG
(2-Benzyl-4-(4-fluoro-phenyl)-5-(4-methanesulfonyl-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2)[n+]([O-])c1-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O3S/c1-31(29,30)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27(28)24(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3
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n/an/a 717n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50029600
PNG
(5-Bromo-2-(4-fluoro-phenyl)-3-(4-methanesulfonyl-p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(Br)sc1-c1ccc(F)cc1
Show InChI InChI=1S/C17H12BrFO2S2/c1-23(20,21)14-8-4-11(5-9-14)15-10-16(18)22-17(15)12-2-6-13(19)7-3-12/h2-10H,1H3
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n/an/a 870n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50297703
PNG
(4-(4-fluorophenyl)-2-isopropyl-5-(4-(methylsulfony...)
Show SMILES CC(C)c1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H19FN2O2S/c1-13(2)20-22-12-18(14-6-10-17(11-7-14)26(3,24)25)19(23-20)15-4-8-16(21)9-5-15/h4-13H,1-3H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX2 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50297695
PNG
(2-(cyclohexylmethyl)-4-(4-fluorophenyl)-5-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(CC2CCCCC2)nc1-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h7-14,16-17H,2-6,15H2,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50297698
PNG
(4-(4-fluorophenyl)-N-methyl-5-(4-(methylsulfonyl)p...)
Show SMILES CN(c1ccccc1)c1ncc(-c2ccc(cc2)S(C)(=O)=O)c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O2S/c1-28(20-6-4-3-5-7-20)24-26-16-22(17-10-14-21(15-11-17)31(2,29)30)23(27-24)18-8-12-19(25)13-9-18/h3-16H,1-2H3
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n/an/a 4.34E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human COX1 expressed in african green monkey COS cells assessed as inhibition of arachidonic acid-stimulated PGE2 production by enzyme ...

Bioorg Med Chem Lett 19: 4509-14 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.089
BindingDB Entry DOI: 10.7270/Q2W66KSC
More data for this
Ligand-Target Pair
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