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Compile Data Set for Download or QSAR

Found 58 hits with Last Name = 'clitherow' and Initial = 'jw'   
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
Hrh3 protein


(RAT)
BDBM85023
PNG
(GR 168320 | GR-168320)
Show SMILES NC(=NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 |w:2.2|
Show InChI InChI=1S/C15H25N5/c16-15(19-13-4-2-1-3-5-13)20-8-6-12(7-9-20)14-10-17-11-18-14/h10-13H,1-9H2,(H2,16,19)(H,17,18)
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0.150n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.150n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM85023
PNG
(GR 168320 | GR-168320)
Show SMILES NC(=NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 |w:2.2|
Show InChI InChI=1S/C15H25N5/c16-15(19-13-4-2-1-3-5-13)20-8-6-12(7-9-20)14-10-17-11-18-14/h10-13H,1-9H2,(H2,16,19)(H,17,18)
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0.190n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.25n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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0.390n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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1.25n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
Hrh3 protein


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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1.99n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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1.99n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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2.51n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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)
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 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)
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
Hrh3 protein


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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3.98n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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3.98n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
Hrh3 protein


(RAT)
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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5.01n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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 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 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)
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
Hrh3 protein


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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10n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
Hrh3 protein


(RAT)
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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12.6n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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19.9n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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25.1n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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25.1n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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63.1n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22530
PNG
(N(alpha)-Methylhistamine | N-alpha-methylhistamine...)
Show SMILES CNCCc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
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79.4n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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158n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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-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 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
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
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
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
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))
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
Hrh3 protein


(RAT)
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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5.01E+3n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
Hrh3 protein


(RAT)
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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7.94E+3n/an/an/an/an/an/an/an/a



Glaxo Research & Development Ltd.

Curated by PDSP Ki Database




Eur J Pharmacol 311: 305-10 (1996)


Article DOI: 10.1016/0014-2999(96)00428-1
BindingDB Entry DOI: 10.7270/Q2ZG6QSD
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
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
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