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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'donthamsetti' and Initial = 'p'   
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))
BDBM50104923
PNG
(CHEMBL3597643)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H30N4O/c32-27(25-20-22-9-2-4-12-24(22)29-25)28-14-5-6-15-30-16-18-31(19-17-30)26-13-7-10-21-8-1-3-11-23(21)26/h1-4,7-13,20,29H,5-6,14-19H2,(H,28,32)
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0.118n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105009
PNG
(CHEMBL3597645)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2s1
Show InChI InChI=1S/C27H29N3OS/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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0.128n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
CHEMBL4093656
PNG
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0.172n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104998
PNG
(CHEMBL3597644)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C28H32N4O2/c1-34-23-11-12-25-22(19-23)20-26(30-25)28(33)29-13-4-5-14-31-15-17-32(18-16-31)27-10-6-8-21-7-2-3-9-24(21)27/h2-3,6-12,19-20,30H,4-5,13-18H2,1H3,(H,29,33)
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0.173n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105004
PNG
(CHEMBL3596212)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cc2ccccc2o1
Show InChI InChI=1S/C27H29N3O2/c31-27(26-20-22-9-2-4-13-25(22)32-26)28-14-5-6-15-29-16-18-30(19-17-29)24-12-7-10-21-8-1-3-11-23(21)24/h1-4,7-13,20H,5-6,14-19H2,(H,28,31)
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0.244n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50129425
PNG
(5-Fluoro-1H-indole-2-carboxylic acid {4-[4-(2,3-di...)
Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O/c24-18-4-3-5-21(22(18)25)30-12-10-29(11-13-30)9-2-1-8-27-23(31)20-15-16-14-17(26)6-7-19(16)28-20/h3-7,14-15,28H,1-2,8-13H2,(H,27,31)
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0.280n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131922
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2-methoxy-pheny...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-11-5-4-10-22(23)28-16-14-27(15-17-28)13-7-6-12-25-24(29)21-18-19-8-2-3-9-20(19)26-21/h2-5,8-11,18,26H,6-7,12-17H2,1H3,(H,25,29)
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0.320n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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0.330n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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0.351n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104927
PNG
(CHEMBL3597641)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C24H29ClN4O2/c1-31-23-19(25)8-6-10-22(23)29-15-13-28(14-16-29)12-5-4-11-26-24(30)21-17-18-7-2-3-9-20(18)27-21/h2-3,6-10,17,27H,4-5,11-16H2,1H3,(H,26,30)
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0.392n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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0.530n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105140
PNG
(CHEMBL3597639)
Show SMILES Fc1ccc2ncc(cc2c1)C(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C24H25Cl2FN4O/c25-20-4-3-5-22(23(20)26)31-12-10-30(11-13-31)9-2-1-8-28-24(32)18-14-17-15-19(27)6-7-21(17)29-16-18/h3-7,14-16H,1-2,8-13H2,(H,28,32)
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0.570n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104928
PNG
(CHEMBL3597642)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28ClN3O3/c1-30-23-19(25)8-6-9-20(23)28-15-13-27(14-16-28)12-5-4-11-26-24(29)22-17-18-7-2-3-10-21(18)31-22/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,26,29)
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0.907n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50342720
PNG
((R)-N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-3-...)
Show SMILES O[C@H](CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)/t17-/m1/s1
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1.10n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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1.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50122048
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,3-dichloro-ph...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-5-9-21(22(18)25)29-14-12-28(13-15-29)11-4-3-10-26-23(30)20-16-17-6-1-2-8-19(17)27-20/h1-2,5-9,16,27H,3-4,10-15H2,(H,26,30)
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1.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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1.70n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50378012
PNG
(CHEMBL1627310)
Show SMILES OC(CCNC(=O)c1cc2cc(F)ccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H25Cl2FN4O2/c24-18-2-1-3-21(22(18)25)30-10-8-29(9-11-30)14-17(31)6-7-27-23(32)20-13-15-12-16(26)4-5-19(15)28-20/h1-5,12-13,17,28,31H,6-11,14H2,(H,27,32)
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1.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM123850
PNG
(US8748608, 34 | US8748608, 34 Enantiomer A | US874...)
Show SMILES OC(CCNC(=O)c1cc2ccccc2[nH]1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C23H26Cl2N4O2/c24-18-5-3-7-21(22(18)25)29-12-10-28(11-13-29)15-17(30)8-9-26-23(31)20-14-16-4-1-2-6-19(16)27-20/h1-7,14,17,27,30H,8-13,15H2,(H,26,31)
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1.90n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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1.90n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104922
PNG
(CHEMBL3597637)
Show SMILES COc1c(Cl)cccc1N1CCN(CCCCNC(=O)c2cnc3ccccc3c2)CC1
Show InChI InChI=1S/C25H29ClN4O2/c1-32-24-21(26)8-6-10-23(24)30-15-13-29(14-16-30)12-5-4-11-27-25(31)20-17-19-7-2-3-9-22(19)28-18-20/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,27,31)
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2n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105039
PNG
(CHEMBL3597650)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cnc3ccc(F)cc3c2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-14-12-29(13-15-30)11-5-4-10-27-25(31)20-16-19-17-21(26)8-9-22(19)28-18-20/h2-3,6-9,16-18H,4-5,10-15H2,1H3,(H,27,31)
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2.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50020222
PNG
((+/-)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthal...)
Show SMILES CCCN(CCC)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C16H25NO/c1-3-9-17(10-4-2)15-7-5-13-6-8-16(18)12-14(13)11-15/h6,8,12,15,18H,3-5,7,9-11H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50104926
PNG
(CHEMBL3597636)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)
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2.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105024
PNG
(CHEMBL3597647)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3cc(F)ccc3n2)CC1
Show InChI InChI=1S/C25H29FN4O2/c1-32-24-7-3-2-6-23(24)30-16-14-29(15-17-30)13-5-4-12-27-25(31)22-10-8-19-18-20(26)9-11-21(19)28-22/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,27,31)
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2.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164855
PNG
(CHEMBL3797209)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/s2
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2.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056446
PNG
((R)-5-Propylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CCCN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C13H17N3O/c1-2-6-14-10-7-9-4-3-5-11-12(9)16(8-10)13(17)15-11/h3-5,10,14H,2,6-8H2,1H3,(H,15,17)/t10-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50164855
PNG
(CHEMBL3797209)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/s2
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3.40n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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3.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50394925
PNG
(CHEMBL2165677)
Show SMILES CCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H20Cl2N2/c1-2-3-7-17-8-10-18(11-9-17)13-6-4-5-12(15)14(13)16/h4-6H,2-3,7-11H2,1H3
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3.40n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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3.5n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50104926
PNG
(CHEMBL3597636)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C28H30N4O2/c33-24(12-13-29-28(34)23-18-22-7-2-4-10-26(22)30-19-23)20-31-14-16-32(17-15-31)27-11-5-8-21-6-1-3-9-25(21)27/h1-11,18-19,24,33H,12-17,20H2,(H,29,34)
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3.60n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50104925
PNG
(CHEMBL3597635)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc2ccccc12)c1cnc2ccccc2c1
Show InChI InChI=1S/C28H30N4O/c33-28(24-20-23-9-2-4-12-26(23)30-21-24)29-14-5-6-15-31-16-18-32(19-17-31)27-13-7-10-22-8-1-3-11-25(22)27/h1-4,7-13,20-21H,5-6,14-19H2,(H,29,33)
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3.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2C receptor (unknown origin)


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
CHEMBL4081424
PNG
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4.10n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens)
BDBM50097853
PNG
(CHEMBL3589651)
Show SMILES OC(CCNC(=O)c1cnc2ccccc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1/C24H26Cl2N4O2/c25-20-5-3-7-22(23(20)26)30-12-10-29(11-13-30)16-19(31)8-9-27-24(32)18-14-17-4-1-2-6-21(17)28-15-18/h1-7,14-15,19,31H,8-13,16H2,(H,27,32)
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4.30n/an/an/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394924
PNG
(CHEMBL2165678)
Show SMILES CCC(=O)NCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C17H25Cl2N3O/c1-2-16(23)20-8-3-4-9-21-10-12-22(13-11-21)15-7-5-6-14(18)17(15)19/h5-7H,2-4,8-13H2,1H3,(H,20,23)
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4.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50394926
PNG
(CHEMBL2165676)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H18Cl2N2/c1-2-6-16-7-9-17(10-8-16)12-5-3-4-11(14)13(12)15/h3-5H,2,6-10H2,1H3
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5.20n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


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


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164847
PNG
(CHEMBL3799626)
Show SMILES CN(CCCCNC(=O)c1ccc-2c(Cc3ccccc-23)c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
Show InChI InChI=1/C29H30N4O2/c1-32(23-17-20-8-6-10-26-27(20)33(18-23)29(35)31-26)14-5-4-13-30-28(34)21-11-12-25-22(16-21)15-19-7-2-3-9-24(19)25/h2-3,6-12,16,23H,4-5,13-15,17-18H2,1H3,(H,30,34)(H,31,35)/t23-/s2
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5.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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5.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164848
PNG
(CHEMBL3798179)
Show SMILES CN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
Show InChI InChI=1/C24H27N5O2/c1-28(18-13-17-8-6-10-20-22(17)29(15-18)24(31)27-20)12-5-4-11-25-23(30)21-14-16-7-2-3-9-19(16)26-21/h2-3,6-10,14,18,26H,4-5,11-13,15H2,1H3,(H,25,30)(H,27,31)/t18-/s2
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5.80n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50164855
PNG
(CHEMBL3797209)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C19H29N3O/c1-4-10-20(11-5-2)16-13-15-8-7-9-17-18(15)22(14-16)19(23)21(17)12-6-3/h7-9,16H,4-6,10-14H2,1-3H3/t16-/s2
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6.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50394926
PNG
(CHEMBL2165676)
Show SMILES CCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C13H18Cl2N2/c1-2-6-16-7-9-17(10-8-16)12-5-3-4-11(14)13(12)15/h3-5H,2,6-10H2,1H3
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6.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis


J Med Chem 55: 6689-99 (2012)


Article DOI: 10.1021/jm300482h
BindingDB Entry DOI: 10.7270/Q2Q81F6B
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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7.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50018958
PNG
(CHEBI:75401 | QUINPIROLE)
Show SMILES [H][C@]12CCCN(CCC)[C@]1([H])Cc1c[nH]nc1C2
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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8n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164880
PNG
(CHEMBL3800165)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1/C16H23N3O/c1-3-8-17-13-10-12-6-5-7-14-15(12)19(11-13)16(20)18(14)9-4-2/h5-7,13,17H,3-4,8-11H2,1-2H3/t13-/s2
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8.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50105253
PNG
(CHEMBL3597640)
Show SMILES OC(CCNC(=O)c1cnc2ccc(F)cc2c1)CN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1/C24H25Cl2FN4O2/c25-20-2-1-3-22(23(20)26)31-10-8-30(9-11-31)15-19(32)6-7-28-24(33)17-12-16-13-18(27)4-5-21(16)29-14-17/h1-5,12-14,19,32H,6-11,15H2,(H,28,33)
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8.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse- Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation ...


J Med Chem 58: 6195-213 (2015)


BindingDB Entry DOI: 10.7270/Q2KS6T92
More data for this
Ligand-Target Pair
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