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Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'parker' and Initial = 'sg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474384
PNG
(CHEMBL2113364)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474398
PNG
(CHEMBL2368629)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474396
PNG
(CHEMBL2113356)
Show SMILES Cl.COc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)cc1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-27-11-5-22(6-12-27)7-14-29(32)30-26-9-3-23(4-10-26)15-18-31-19-16-24-8-13-28(36-37(2,33)34)21-25(24)17-20-31;/h5-8,11-14,21,23,26H,3-4,9-10,15-20H2,1-2H3,(H,30,32);1H/b14-7+;/t23-,26-;
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474389
PNG
(CHEMBL3084597)
Show SMILES Cl.Cc1ncc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-31-20-29(37-21)25-4-3-5-26(18-25)30(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474412
PNG
(CHEMBL2368622)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474395
PNG
(CHEMBL2368626)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474403
PNG
(CHEMBL2368633)
Show SMILES Cl.COc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-28-6-4-3-5-24(28)10-14-29(32)30-26-11-7-22(8-12-26)15-18-31-19-16-23-9-13-27(36-37(2,33)34)21-25(23)17-20-31;/h3-6,9-10,13-14,21-22,26H,7-8,11-12,15-20H2,1-2H3,(H,30,32);1H/b14-10+;/t22-,26-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474406
PNG
(CHEMBL3084598)
Show SMILES Cl.Cc1ccc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-6-13-27-28(4-3-5-29(27)31-21)30(34)32-25-10-7-22(8-11-25)14-17-33-18-15-23-9-12-26(37-38(2,35)36)20-24(23)16-19-33;/h3-6,9,12-13,20,22,25H,7-8,10-11,14-19H2,1-2H3,(H,32,34);1H/t22-,25-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474399
PNG
(CHEMBL2368625)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;
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1.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474393
PNG
(CHEMBL2368623)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474410
PNG
(CHEMBL2368620)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-12-8-24-15-18-32(19-16-25(24)20-28)17-14-22-6-10-27(11-7-22)31-29(33)13-9-23-4-2-3-5-26(23)21-30;/h2-5,8-9,12-13,20,22,27H,6-7,10-11,14-19H2,1H3,(H,31,33);1H/b13-9+;/t22-,27-;
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1.60n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474388
PNG
(CHEMBL3084625)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ncccc34)CCc2c1
Show InChI InChI=1S/C29H35N3O4S.ClH/c1-37(34,35)36-25-12-9-22-14-18-32(19-15-23(22)20-25)17-13-21-7-10-24(11-8-21)31-29(33)27-4-2-6-28-26(27)5-3-16-30-28;/h2-6,9,12,16,20-21,24H,7-8,10-11,13-15,17-19H2,1H3,(H,31,33);1H/t21-,24-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474414
PNG
(CHEMBL2368617)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(cc3)C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-12-9-25-15-18-32(19-16-26(25)20-28)17-14-23-6-10-27(11-7-23)31-29(33)13-8-22-2-4-24(21-30)5-3-22;/h2-5,8-9,12-13,20,23,27H,6-7,10-11,14-19H2,1H3,(H,31,33);1H/b13-8+;/t23-,27-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474392
PNG
(CHEMBL3084601)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)-c3ncccn3)CCc2c1
Show InChI InChI=1S/C30H36N4O4S.ClH/c1-39(36,37)38-28-11-8-23-13-18-34(19-14-24(23)21-28)17-12-22-6-9-27(10-7-22)33-30(35)26-5-2-4-25(20-26)29-31-15-3-16-32-29;/h2-5,8,11,15-16,20-22,27H,6-7,9-10,12-14,17-19H2,1H3,(H,33,35);1H/t22-,27-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474407
PNG
(CHEMBL2368624)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(c3)C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-11-8-25-14-17-32(18-15-26(25)20-28)16-13-22-5-9-27(10-6-22)31-29(33)12-7-23-3-2-4-24(19-23)21-30;/h2-4,7-8,11-12,19-20,22,27H,5-6,9-10,13-18H2,1H3,(H,31,33);1H/b12-7+;/t22-,27-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474413
PNG
(CHEMBL3084626)
Show SMILES Cl.Cc1cc(on1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-18-29(37-32-21)25-4-3-5-26(19-25)30(34)31-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)20-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t22-,27-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474404
PNG
(CHEMBL2368627)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cc(F)cc(F)c3)CCc2c1
Show InChI InChI=1S/C28H34F2N2O3S.ClH/c1-36(34,35)27-8-5-22-11-14-32(15-12-23(22)18-27)13-10-20-2-6-26(7-3-20)31-28(33)9-4-21-16-24(29)19-25(30)17-21;/h4-5,8-9,16-20,26H,2-3,6-7,10-15H2,1H3,(H,31,33);1H/b9-4+;/t20-,26-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474401
PNG
(CHEMBL2368618)
Show SMILES Cl.COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-27-5-3-4-23(20-27)8-13-29(32)30-26-10-6-22(7-11-26)14-17-31-18-15-24-9-12-28(36-37(2,33)34)21-25(24)16-19-31;/h3-5,8-9,12-13,20-22,26H,6-7,10-11,14-19H2,1-2H3,(H,30,32);1H/b13-8+;/t22-,26-;
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474390
PNG
(CHEMBL3084624)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ccccc34)CCc2c1
Show InChI InChI=1S/C30H36N2O4S.ClH/c1-37(34,35)36-27-14-11-23-16-19-32(20-17-25(23)21-27)18-15-22-9-12-26(13-10-22)31-30(33)29-8-4-6-24-5-2-3-7-28(24)29;/h2-8,11,14,21-22,26H,9-10,12-13,15-20H2,1H3,(H,31,33);1H/t22-,26-;
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474400
PNG
(CHEMBL2368619)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3c(F)cccc3F)CCc2c1
Show InChI InChI=1S/C28H34F2N2O3S.ClH/c1-36(34,35)24-10-7-21-14-17-32(18-15-22(21)19-24)16-13-20-5-8-23(9-6-20)31-28(33)12-11-25-26(29)3-2-4-27(25)30;/h2-4,7,10-12,19-20,23H,5-6,8-9,13-18H2,1H3,(H,31,33);1H/b12-11+;/t20-,23-;
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474408
PNG
(CHEMBL3084613)
Show SMILES Cl.Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C29H36N4O5S.ClH/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38-39(2,35)36)19-23(22)14-17-33;/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t21-,26-;
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2.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474394
PNG
(CHEMBL2113363)
Show SMILES Cl.Cc1ccc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H36FN3O3S.ClH/c1-20-3-10-26-27(11-12-28(31)29(26)32-20)30(35)33-24-7-4-21(5-8-24)13-16-34-17-14-22-6-9-25(38(2,36)37)19-23(22)15-18-34;/h3,6,9-12,19,21,24H,4-5,7-8,13-18H2,1-2H3,(H,33,35);1H/t21-,24-;
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474397
PNG
(CHEMBL3084629)
Show SMILES Cl.Cc1cnc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-20-31-30(37-21)26-5-3-4-25(18-26)29(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474391
PNG
(CHEMBL3084596)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)-n3cccc3)CCc2c1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-38(35,36)37-29-12-9-24-14-19-32(20-15-25(24)22-29)18-13-23-7-10-27(11-8-23)31-30(34)26-5-4-6-28(21-26)33-16-2-3-17-33;/h2-6,9,12,16-17,21-23,27H,7-8,10-11,13-15,18-20H2,1H3,(H,31,34);1H/t23-,27-;
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474386
PNG
(CHEMBL3084605)
Show SMILES Cl.Cn1nccc1-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H38N4O3S.ClH/c1-33-29(12-16-31-33)25-4-3-5-26(20-25)30(35)32-27-9-6-22(7-10-27)13-17-34-18-14-23-8-11-28(38(2,36)37)21-24(23)15-19-34;/h3-5,8,11-12,16,20-22,27H,6-7,9-10,13-15,17-19H2,1-2H3,(H,32,35);1H/t22-,27-;
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474409
PNG
(CHEMBL3084612)
Show SMILES Cl.Cc1coc(n1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-20-37-30(31-21)26-5-3-4-25(18-26)29(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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3.20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50411370
PNG
(CHEMBL244083 | SB-414796)
Show SMILES Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C29H36N4O4S/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38(2,35)36)19-23(22)14-17-33/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34)/t21-,26-
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474402
PNG
(CHEMBL3084615)
Show SMILES Cl.Cc1cc(on1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-18-29(37-32-21)25-4-3-5-26(19-25)30(34)31-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38(2,35)36)20-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t22-,27-;
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474385
PNG
(CHEMBL3084599)
Show SMILES Cl.Cc1ccc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H37N3O3S.ClH/c1-21-6-13-27-28(4-3-5-29(27)31-21)30(34)32-25-10-7-22(8-11-25)14-17-33-18-15-23-9-12-26(37(2,35)36)20-24(23)16-19-33;/h3-6,9,12-13,20,22,25H,7-8,10-11,14-19H2,1-2H3,(H,32,34);1H/t22-,25-;
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474387
PNG
(CHEMBL3084620)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ccccc34)CCc2c1
Show InChI InChI=1S/C30H36N2O3S.ClH/c1-36(34,35)27-14-11-23-16-19-32(20-17-25(23)21-27)18-15-22-9-12-26(13-10-22)31-30(33)29-8-4-6-24-5-2-3-7-28(24)29;/h2-8,11,14,21-22,26H,9-10,12-13,15-20H2,1H3,(H,31,33);1H/t22-,26-;
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474411
PNG
(CHEMBL3084602)
Show SMILES Cl.Cc1ncc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-31-20-29(37-21)25-4-3-5-26(18-25)30(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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6.30n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474383
PNG
(CHEMBL2113357)
Show SMILES Cl.Cc1cnc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-20-31-30(37-21)26-5-3-4-25(18-26)29(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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7.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474405
PNG
(CHEMBL2113358)
Show SMILES Cl.Cc1cc(C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c2ccccc2n1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-19-28(27-5-3-4-6-29(27)31-21)30(34)32-25-10-7-22(8-11-25)13-16-33-17-14-23-9-12-26(37-38(2,35)36)20-24(23)15-18-33;/h3-6,9,12,19-20,22,25H,7-8,10-11,13-18H2,1-2H3,(H,32,34);1H/t22-,25-;
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D3 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474396
PNG
(CHEMBL2113356)
Show SMILES Cl.COc1ccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)cc1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-27-11-5-22(6-12-27)7-14-29(32)30-26-9-3-23(4-10-26)15-18-31-19-16-24-8-13-28(36-37(2,33)34)21-25(24)17-20-31;/h5-8,11-14,21,23,26H,3-4,9-10,15-20H2,1-2H3,(H,30,32);1H/b14-7+;/t23-,26-;
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32n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474384
PNG
(CHEMBL2113364)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474401
PNG
(CHEMBL2368618)
Show SMILES Cl.COc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OS(C)(=O)=O)cc4CC3)CC2)c1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-27-5-3-4-23(20-27)8-13-29(32)30-26-10-6-22(7-11-26)14-17-31-18-15-24-9-12-28(36-37(2,33)34)21-25(24)16-19-31;/h3-5,8-9,12-13,20-22,26H,6-7,10-11,14-19H2,1-2H3,(H,30,32);1H/b13-8+;/t22-,26-;
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63n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474412
PNG
(CHEMBL2368622)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474399
PNG
(CHEMBL2368625)
Show SMILES Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1
Show InChI InChI=1S/C28H35FN2O4S.ClH/c1-36(33,34)35-26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474398
PNG
(CHEMBL2368629)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(F)cc3)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-12-7-23-15-18-31(19-16-24(23)20-27)17-14-22-4-10-26(11-5-22)30-28(32)13-6-21-2-8-25(29)9-3-21;/h2-3,6-9,12-13,20,22,26H,4-5,10-11,14-19H2,1H3,(H,30,32);1H/b13-6+;/t22-,26-;
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79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474403
PNG
(CHEMBL2368633)
Show SMILES Cl.COc1ccccc1\C=C\C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C29H38N2O5S.ClH/c1-35-28-6-4-3-5-24(28)10-14-29(32)30-26-11-7-22(8-12-26)15-18-31-19-16-23-9-13-27(36-37(2,33)34)21-25(23)17-20-31;/h3-6,9-10,13-14,21-22,26H,7-8,11-12,15-20H2,1-2H3,(H,30,32);1H/b14-10+;/t22-,26-;
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100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474395
PNG
(CHEMBL2368626)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3F)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)26-12-8-22-15-18-31(19-16-24(22)20-26)17-14-21-6-10-25(11-7-21)30-28(32)13-9-23-4-2-3-5-27(23)29;/h2-5,8-9,12-13,20-21,25H,6-7,10-11,14-19H2,1H3,(H,30,32);1H/b13-9+;/t21-,25-;
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474414
PNG
(CHEMBL2368617)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccc(cc3)C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-12-9-25-15-18-32(19-16-26(25)20-28)17-14-23-6-10-27(11-7-23)31-29(33)13-8-22-2-4-24(21-30)5-3-22;/h2-5,8-9,12-13,20,23,27H,6-7,10-11,14-19H2,1H3,(H,31,33);1H/b13-8+;/t23-,27-;
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474393
PNG
(CHEMBL2368623)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(F)c3)CCc2c1
Show InChI InChI=1S/C28H35FN2O3S.ClH/c1-35(33,34)27-11-8-23-14-17-31(18-15-24(23)20-27)16-13-21-5-9-26(10-6-21)30-28(32)12-7-22-3-2-4-25(29)19-22;/h2-4,7-8,11-12,19-21,26H,5-6,9-10,13-18H2,1H3,(H,30,32);1H/b12-7+;/t21-,26-;
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126n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474410
PNG
(CHEMBL2368620)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3ccccc3C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-12-8-24-15-18-32(19-16-25(24)20-28)17-14-22-6-10-27(11-7-22)31-29(33)13-9-23-4-2-3-5-26(23)21-30;/h2-5,8-9,12-13,20,22,27H,6-7,10-11,14-19H2,1H3,(H,31,33);1H/b13-9+;/t22-,27-;
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474413
PNG
(CHEMBL3084626)
Show SMILES Cl.Cc1cc(on1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-18-29(37-32-21)25-4-3-5-26(19-25)30(34)31-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)20-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t22-,27-;
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474407
PNG
(CHEMBL2368624)
Show SMILES Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3cccc(c3)C#N)CCc2c1
Show InChI InChI=1S/C29H35N3O3S.ClH/c1-36(34,35)28-11-8-25-14-17-32(18-15-26(25)20-28)16-13-22-5-9-27(10-6-22)31-29(33)12-7-23-3-2-4-24(19-23)21-30;/h2-4,7-8,11-12,19-20,22,27H,5-6,9-10,13-18H2,1H3,(H,31,33);1H/b12-7+;/t22-,27-;
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158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474406
PNG
(CHEMBL3084598)
Show SMILES Cl.Cc1ccc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O4S.ClH/c1-21-6-13-27-28(4-3-5-29(27)31-21)30(34)32-25-10-7-22(8-11-25)14-17-33-18-15-23-9-12-26(37-38(2,35)36)20-24(23)16-19-33;/h3-6,9,12-13,20,22,25H,7-8,10-11,14-19H2,1-2H3,(H,32,34);1H/t22-,25-;
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474389
PNG
(CHEMBL3084597)
Show SMILES Cl.Cc1ncc(o1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-31-20-29(37-21)25-4-3-5-26(18-25)30(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474409
PNG
(CHEMBL3084612)
Show SMILES Cl.Cc1coc(n1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C30H37N3O5S.ClH/c1-21-20-37-30(31-21)26-5-3-4-25(18-26)29(34)32-27-9-6-22(7-10-27)12-15-33-16-13-23-8-11-28(38-39(2,35)36)19-24(23)14-17-33;/h3-5,8,11,18-20,22,27H,6-7,9-10,12-17H2,1-2H3,(H,32,34);1H/t22-,27-;
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474408
PNG
(CHEMBL3084613)
Show SMILES Cl.Cc1nc(no1)-c1cccc(c1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OS(C)(=O)=O)cc3CC2)CC1
Show InChI InChI=1S/C29H36N4O5S.ClH/c1-20-30-28(32-37-20)24-4-3-5-25(18-24)29(34)31-26-9-6-21(7-10-26)12-15-33-16-13-22-8-11-27(38-39(2,35)36)19-23(22)14-17-33;/h3-5,8,11,18-19,21,26H,6-7,9-10,12-17H2,1-2H3,(H,31,34);1H/t21-,26-;
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200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 expressed in CHO cells by using [125I]iodosulpiride as radioligand


J Med Chem 46: 4952-64 (2003)


Article DOI: 10.1021/jm030817d
BindingDB Entry DOI: 10.7270/Q2TT4TPR
More data for this
Ligand-Target Pair
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