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Compile Data Set for Download or QSAR

Found 242 hits with Last Name = 'reichert' and Initial = 'de'   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50339691
PNG
(4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
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0.800n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042844
PNG
(CHEMBL3353901)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H31N5OS/c1-33-27-8-3-2-7-26(27)31-17-15-30(16-18-31)14-5-4-6-24-20-32(29-28-24)25-11-9-22(10-12-25)23-13-19-34-21-23/h2-3,7-13,19-21H,4-6,14-18H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042708
PNG
(CHEMBL3353899)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C27H32N6O/c1-34-27-12-5-4-10-26(27)32-18-16-31(17-19-32)15-6-2-3-9-23-21-33(30-29-23)25-11-7-8-22-20-28-14-13-24(22)25/h4-5,7-8,10-14,20-21H,2-3,6,9,15-19H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042734
PNG
(CHEMBL3353913)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C24H31N5OS/c1-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-19-29(26-25-20)21-10-12-22(31-2)13-11-21/h3-4,8-13,19H,5-7,14-18H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042729
PNG
(CHEMBL3353914)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C25H33N5OS/c1-31-25-10-6-5-9-24(25)29-18-16-28(17-19-29)15-7-3-4-8-21-20-30(27-26-21)22-11-13-23(32-2)14-12-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50339690
PNG
(4-(2-fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
Show InChI InChI=1S/C24H32FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29)
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2.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50339690
PNG
(4-(2-fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
Show InChI InChI=1S/C24H32FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29)
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2.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042727
PNG
(CHEMBL3353916)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2O)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-23-12-5-3-10-21(23)27-16-14-26(15-17-27)13-7-6-8-19-18-28(25-24-19)20-9-2-4-11-22(20)29/h2-5,9-12,18,29H,6-8,13-17H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042721
PNG
(CHEMBL3353896)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H31N5O/c1-30-24-14-8-7-13-23(24)28-18-16-27(17-19-28)15-9-3-4-10-21-20-29(26-25-21)22-11-5-2-6-12-22/h2,5-8,11-14,20H,3-4,9-10,15-19H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042840
PNG
(CHEMBL3353905)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN5O/c1-31-24-9-5-4-8-23(24)29-17-15-28(16-18-29)14-6-2-3-7-21-19-30(27-26-21)22-12-10-20(25)11-13-22/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042709
PNG
(CHEMBL3353898)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C26H30N6O/c1-33-26-11-3-2-9-25(26)31-17-15-30(16-18-31)14-5-4-8-22-20-32(29-28-22)24-10-6-7-21-19-27-13-12-23(21)24/h2-3,6-7,9-13,19-20H,4-5,8,14-18H2,1H3
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3.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042729
PNG
(CHEMBL3353914)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C25H33N5OS/c1-31-25-10-6-5-9-24(25)29-18-16-28(17-19-29)15-7-3-4-8-21-20-30(27-26-21)22-11-13-23(32-2)14-12-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM10351
PNG
(1-(4-Methoxybenzyl)-5-(2-(pyridin-3-yl-oxymethyl)-...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CCC[C@H]2COc2cccnc2)cc1 |r|
Show InChI InChI=1S/C26H25N3O6S/c1-34-20-8-6-18(7-9-20)16-28-24-11-10-22(14-23(24)25(30)26(28)31)36(32,33)29-13-3-4-19(29)17-35-21-5-2-12-27-15-21/h2,5-12,14-15,19H,3-4,13,16-17H2,1H3/t19-/m0/s1
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4.40n/a 3.90n/an/an/an/an/an/a



Washington University School of Medicine



Assay Description
The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...


J Med Chem 48: 7637-47 (2005)


Article DOI: 10.1021/jm0506625
BindingDB Entry DOI: 10.7270/Q2V40SDN
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042723
PNG
(CHEMBL3353895)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3
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4.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042734
PNG
(CHEMBL3353913)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C24H31N5OS/c1-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-19-29(26-25-20)21-10-12-22(31-2)13-11-21/h3-4,8-13,19H,5-7,14-18H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042708
PNG
(CHEMBL3353899)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C27H32N6O/c1-34-27-12-5-4-10-26(27)32-18-16-31(17-19-32)15-6-2-3-9-23-21-33(30-29-23)25-11-7-8-22-20-28-14-13-24(22)25/h4-5,7-8,10-14,20-21H,2-3,6,9,15-19H2,1H3
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5.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042709
PNG
(CHEMBL3353898)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C26H30N6O/c1-33-26-11-3-2-9-25(26)31-17-15-30(16-18-31)14-5-4-8-22-20-32(29-28-22)24-10-6-7-21-19-27-13-12-23(21)24/h2-3,6-7,9-13,19-20H,4-5,8,14-18H2,1H3
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6n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042843
PNG
(CHEMBL3353902)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C28H33N5OS/c1-34-28-9-5-4-8-27(28)32-18-16-31(17-19-32)15-6-2-3-7-25-21-33(30-29-25)26-12-10-23(11-13-26)24-14-20-35-22-24/h4-5,8-14,20-22H,2-3,6-7,15-19H2,1H3
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6.30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042841
PNG
(CHEMBL3353904)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H28FN5O/c1-30-23-8-3-2-7-22(23)28-16-14-27(15-17-28)13-5-4-6-20-18-29(26-25-20)21-11-9-19(24)10-12-21/h2-3,7-12,18H,4-6,13-17H2,1H3
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6.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042772
PNG
(CHEMBL3353911)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C26H36N6O/c1-29(2)23-12-14-24(15-13-23)32-21-22(27-28-32)9-5-4-8-16-30-17-19-31(20-18-30)25-10-6-7-11-26(25)33-3/h6-7,10-15,21H,4-5,8-9,16-20H2,1-3H3
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6.70n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042728
PNG
(CHEMBL3353915)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccccc2O)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-22-11-5-3-9-20(22)26-15-13-25(14-16-26)12-6-7-18-17-27(24-23-18)19-8-2-4-10-21(19)28/h2-5,8-11,17,28H,6-7,12-16H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042707
PNG
(CHEMBL3353900)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50339691
PNG
(4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
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7.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042844
PNG
(CHEMBL3353901)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C27H31N5OS/c1-33-27-8-3-2-7-26(27)31-17-15-30(16-18-31)14-5-4-6-24-20-32(29-28-24)25-11-9-22(10-12-25)23-13-19-34-21-23/h2-3,7-13,19-21H,4-6,14-18H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042707
PNG
(CHEMBL3353900)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)-c2ccsc2)CC1
Show InChI InChI=1S/C26H29N5OS/c1-32-26-7-3-2-6-25(26)30-16-14-29(15-17-30)13-4-5-23-19-31(28-27-23)24-10-8-21(9-11-24)22-12-18-33-20-22/h2-3,6-12,18-20H,4-5,13-17H2,1H3
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8.90n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50042798
PNG
(CHEMBL3353910)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C25H34N6O/c1-28(2)22-11-13-23(14-12-22)31-20-21(26-27-31)8-6-7-15-29-16-18-30(19-17-29)24-9-4-5-10-25(24)32-3/h4-5,9-14,20H,6-8,15-19H2,1-3H3
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9.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [3H]8-OH-DPAT from human 5HT1A receptor after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042727
PNG
(CHEMBL3353916)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2O)CC1
Show InChI InChI=1S/C23H29N5O2/c1-30-23-12-5-3-10-21(23)27-16-14-26(15-17-27)13-7-6-8-19-18-28(25-24-19)20-9-2-4-11-22(20)29/h2-5,9-12,18,29H,6-8,13-17H2,1H3
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9.40n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042770
PNG
(CHEMBL3353912)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-18-28(25-24-19)20-9-11-21(30-2)12-10-20/h3-4,7-12,18H,5-6,13-17H2,1-2H3
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9.60n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042728
PNG
(CHEMBL3353915)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccccc2O)CC1
Show InChI InChI=1S/C22H27N5O2/c1-29-22-11-5-3-9-20(22)26-15-13-25(14-16-26)12-6-7-18-17-27(24-23-18)19-8-2-4-10-21(19)28/h2-5,8-11,17,28H,6-7,12-16H2,1H3
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13n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042798
PNG
(CHEMBL3353910)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C25H34N6O/c1-28(2)22-11-13-23(14-12-22)31-20-21(26-27-31)8-6-7-15-29-16-18-30(19-17-29)24-9-4-5-10-25(24)32-3/h4-5,9-14,20H,6-8,15-19H2,1-3H3
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14n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042708
PNG
(CHEMBL3353899)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C27H32N6O/c1-34-27-12-5-4-10-26(27)32-18-16-31(17-19-32)15-6-2-3-9-23-21-33(30-29-23)25-11-7-8-22-20-28-14-13-24(22)25/h4-5,7-8,10-14,20-21H,2-3,6,9,15-19H2,1H3
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18n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042721
PNG
(CHEMBL3353896)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H31N5O/c1-30-24-14-8-7-13-23(24)28-18-16-27(17-19-28)15-9-3-4-10-21-20-29(26-25-21)22-11-5-2-6-12-22/h2,5-8,11-14,20H,3-4,9-10,15-19H2,1H3
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19n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042820
PNG
(CHEMBL3353908)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccccc2OC)CC1
Show InChI InChI=1S/C25H33N5O2/c1-31-24-13-7-5-11-22(24)29-18-16-28(17-19-29)15-9-3-4-10-21-20-30(27-26-21)23-12-6-8-14-25(23)32-2/h5-8,11-14,20H,3-4,9-10,15-19H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042724
PNG
(CHEMBL3353894)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C22H27N5O/c1-28-22-12-6-5-11-21(22)26-16-14-25(15-17-26)13-7-8-19-18-27(24-23-19)20-9-3-2-4-10-20/h2-6,9-12,18H,7-8,13-17H2,1H3
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22n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042840
PNG
(CHEMBL3353905)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN5O/c1-31-24-9-5-4-8-23(24)29-17-15-28(16-18-29)14-6-2-3-7-21-19-30(27-26-21)22-12-10-20(25)11-13-22/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3
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24n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042826
PNG
(CHEMBL3353907)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2OC)CC1
Show InChI InChI=1S/C24H31N5O2/c1-30-23-12-5-3-10-21(23)28-17-15-27(16-18-28)14-8-7-9-20-19-29(26-25-20)22-11-4-6-13-24(22)31-2/h3-6,10-13,19H,7-9,14-18H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042729
PNG
(CHEMBL3353914)
Show SMILES COc1ccccc1N1CCN(CCCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C25H33N5OS/c1-31-25-10-6-5-9-24(25)29-18-16-28(17-19-29)15-7-3-4-8-21-20-30(27-26-21)22-11-13-23(32-2)14-12-22/h5-6,9-14,20H,3-4,7-8,15-19H2,1-2H3
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27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042842
PNG
(CHEMBL3353903)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN5O/c1-29-22-7-3-2-6-21(22)27-15-13-26(14-16-27)12-4-5-19-17-28(25-24-19)20-10-8-18(23)9-11-20/h2-3,6-11,17H,4-5,12-16H2,1H3
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27n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042806
PNG
(CHEMBL3353909)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C24H32N6O/c1-27(2)21-10-12-22(13-11-21)30-19-20(25-26-30)7-6-14-28-15-17-29(18-16-28)23-8-4-5-9-24(23)31-3/h4-5,8-13,19H,6-7,14-18H2,1-3H3
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30n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042723
PNG
(CHEMBL3353895)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N5O/c1-29-23-13-6-5-12-22(23)27-17-15-26(16-18-27)14-8-7-9-20-19-28(25-24-20)21-10-3-2-4-11-21/h2-6,10-13,19H,7-9,14-18H2,1H3
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31n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50339691
PNG
(4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)N(C)C)CC1
Show InChI InChI=1S/C24H34N4O2/c1-26(2)21-12-10-20(11-13-21)24(29)25-14-6-7-15-27-16-18-28(19-17-27)22-8-4-5-9-23(22)30-3/h4-5,8-13H,6-7,14-19H2,1-3H3,(H,25,29)
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34n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50042710
PNG
(CHEMBL3353897)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C25H28N6O/c1-32-25-10-3-2-8-24(25)30-16-14-29(15-17-30)13-5-7-21-19-31(28-27-21)23-9-4-6-20-18-26-12-11-22(20)23/h2-4,6,8-12,18-19H,5,7,13-17H2,1H3
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36n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042734
PNG
(CHEMBL3353913)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C24H31N5OS/c1-30-24-9-4-3-8-23(24)28-17-15-27(16-18-28)14-6-5-7-20-19-29(26-25-20)21-10-12-22(31-2)13-11-21/h3-4,8-13,19H,5-7,14-18H2,1-2H3
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38n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042709
PNG
(CHEMBL3353898)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2cccc3cnccc23)CC1
Show InChI InChI=1S/C26H30N6O/c1-33-26-11-3-2-9-25(26)31-17-15-30(16-18-31)14-5-4-8-22-20-32(29-28-22)24-10-6-7-21-19-27-13-12-23(21)24/h2-3,6-7,9-13,19-20H,4-5,8,14-18H2,1H3
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42n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042770
PNG
(CHEMBL3353912)
Show SMILES COc1ccccc1N1CCN(CCCc2cn(nn2)-c2ccc(SC)cc2)CC1
Show InChI InChI=1S/C23H29N5OS/c1-29-23-8-4-3-7-22(23)27-16-14-26(15-17-27)13-5-6-19-18-28(25-24-19)20-9-11-21(30-2)12-10-20/h3-4,7-12,18H,5-6,13-17H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50434588
PNG
(CHEMBL2386618)
Show SMILES COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(Br)s2)CC1
Show InChI InChI=1S/C21H28BrN3O2S/c1-27-18-8-3-2-7-17(18)25-14-6-13-24(15-16-25)12-5-4-11-23-21(26)19-9-10-20(22)28-19/h2-3,7-10H,4-6,11-16H2,1H3,(H,23,26)
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44n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


Bioorg Med Chem 21: 2988-98 (2013)


Article DOI: 10.1016/j.bmc.2013.03.074
BindingDB Entry DOI: 10.7270/Q2697509
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50042841
PNG
(CHEMBL3353904)
Show SMILES COc1ccccc1N1CCN(CCCCc2cn(nn2)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C23H28FN5O/c1-30-23-8-3-2-7-22(23)28-16-14-27(15-17-28)13-5-4-6-20-18-29(26-25-20)21-11-9-19(24)10-12-21/h2-3,7-12,18H,4-6,13-17H2,1H3
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47n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50339690
PNG
(4-(2-fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperaz...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(CCF)cc2)CC1
Show InChI InChI=1S/C24H32FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)21-10-8-20(9-11-21)12-13-25/h2-3,6-11H,4-5,12-19H2,1H3,(H,26,29)
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55n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay


Bioorg Med Chem Lett 25: 519-23 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.023
BindingDB Entry DOI: 10.7270/Q27W6DS9
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50434594
PNG
(CHEMBL2386612)
Show SMILES COc1ccccc1N1CCCN(CCCCNC(=O)c2ccc(C)s2)CC1
Show InChI InChI=1S/C22H31N3O2S/c1-18-10-11-21(28-18)22(26)23-12-5-6-13-24-14-7-15-25(17-16-24)19-8-3-4-9-20(19)27-2/h3-4,8-11H,5-7,12-17H2,1-2H3,(H,23,26)
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57n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


Bioorg Med Chem 21: 2988-98 (2013)


Article DOI: 10.1016/j.bmc.2013.03.074
BindingDB Entry DOI: 10.7270/Q2697509
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50137626
PNG
(5-Bromo-N-{4-[4-(2,3-dichloro-phenyl)-piperazin-1-...)
Show SMILES COc1cc(Br)cc(C(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)c1OC
Show InChI InChI=1S/C23H28BrCl2N3O3/c1-31-20-15-16(24)14-17(22(20)32-2)23(30)27-8-3-4-9-28-10-12-29(13-11-28)19-7-5-6-18(25)21(19)26/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,27,30)
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59n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


Bioorg Med Chem 21: 2988-98 (2013)


Article DOI: 10.1016/j.bmc.2013.03.074
BindingDB Entry DOI: 10.7270/Q2697509
More data for this
Ligand-Target Pair
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