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Compile Data Set for Download or QSAR

Found 154 hits Enz. Inhib. hit(s) with all data for entry = 50049241   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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0.480n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237347
PNG
(CHEMBL4093477)
Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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0.690n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237356
PNG
(CHEMBL4078379)
Show SMILES CCCn1c2cccc3C[C@H](Cn(c23)c1=O)N(C)CCCCNC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H33N5O2/c1-3-14-31-24-12-8-10-20-16-21(18-32(25(20)24)27(31)34)30(2)15-7-6-13-28-26(33)23-17-19-9-4-5-11-22(19)29-23/h4-5,8-12,17,21,29H,3,6-7,13-16,18H2,1-2H3,(H,28,33)/t21-/m1/s1
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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
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase of virulent strain RH (value indicates Non ...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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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3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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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]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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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6.80n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237347
PNG
(CHEMBL4093477)
Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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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13n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) 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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16n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237353
PNG
(CHEMBL4065353)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C26H31N5O2/c1-2-12-27-20-15-19-9-7-11-23-24(19)31(17-20)26(33)30(23)14-6-5-13-28-25(32)22-16-18-8-3-4-10-21(18)29-22/h3-4,7-11,16,20,27,29H,2,5-6,12-15,17H2,1H3,(H,28,32)/t20-/m1/s1
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19n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237356
PNG
(CHEMBL4078379)
Show SMILES CCCn1c2cccc3C[C@H](Cn(c23)c1=O)N(C)CCCCNC(=O)c1cc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H33N5O2/c1-3-14-31-24-12-8-10-20-16-21(18-32(25(20)24)27(31)34)30(2)15-7-6-13-28-26(33)23-17-19-9-4-5-11-22(19)29-23/h4-5,8-12,17,21,29H,3,6-7,13-16,18H2,1-2H3,(H,28,33)/t21-/m1/s1
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22n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237342
PNG
(CHEMBL4076129)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C31H45N3O2/c1-32-28-24-27-19-15-20-29-30(27)34(25-28)31(35)33(29)21-12-6-4-2-3-5-7-13-22-36-23-14-11-18-26-16-9-8-10-17-26/h8-10,15-17,19-20,28,32H,2-7,11-14,18,21-25H2,1H3/t28-/m1/s1
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24n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237350
PNG
(CHEMBL4085282)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O4/c1-28-24-20-23-11-7-12-25-26(23)30(21-24)27(31)29(25)13-15-33-17-19-34-18-16-32-14-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11-12,24,28H,5-6,10,13-21H2,1H3/t24-/m1/s1
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35n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237340
PNG
(CHEMBL4059581)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O2/c1-2-16-28-24-20-23-14-10-15-25-26(23)30(21-24)27(31)29(25)17-7-9-19-32-18-8-6-13-22-11-4-3-5-12-22/h3-5,10-12,14-15,24,28H,2,6-9,13,16-21H2,1H3/t24-/m1/s1
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37n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237341
PNG
(CHEMBL4097572)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H41N3O2/c1-30-26-22-25-17-13-18-27-28(25)32(23-26)29(33)31(27)19-10-4-2-3-5-11-20-34-21-12-9-16-24-14-7-6-8-15-24/h6-8,13-15,17-18,26,30H,2-5,9-12,16,19-23H2,1H3/t26-/m1/s1
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39n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237348
PNG
(CHEMBL4096422)
Show SMILES CN(CCCCOc1ccc2CCC(=O)Nc2c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C24H28N4O3/c1-27(18-13-17-5-4-6-20-23(17)28(15-18)24(30)26-20)11-2-3-12-31-19-9-7-16-8-10-22(29)25-21(16)14-19/h4-7,9,14,18H,2-3,8,10-13,15H2,1H3,(H,25,29)(H,26,30)/t18-/m1/s1
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40n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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46n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237355
PNG
(CHEMBL4093223)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H41N3O2/c1-2-18-30-26-22-25-16-12-17-27-28(25)32(23-26)29(33)31(27)19-9-3-4-10-20-34-21-11-8-15-24-13-6-5-7-14-24/h5-7,12-14,16-17,26,30H,2-4,8-11,15,18-23H2,1H3/t26-/m1/s1
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55n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237351
PNG
(CHEMBL4071243)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O2/c1-28-24-20-23-15-11-16-25-26(23)30(21-24)27(31)29(25)17-8-2-3-9-18-32-19-10-7-14-22-12-5-4-6-13-22/h4-6,11-13,15-16,24,28H,2-3,7-10,14,17-21H2,1H3/t24-/m1/s1
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61n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237341
PNG
(CHEMBL4097572)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H41N3O2/c1-30-26-22-25-17-13-18-27-28(25)32(23-26)29(33)31(27)19-10-4-2-3-5-11-20-34-21-12-9-16-24-14-7-6-8-15-24/h6-8,13-15,17-18,26,30H,2-5,9-12,16,19-23H2,1H3/t26-/m1/s1
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78n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237355
PNG
(CHEMBL4093223)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H41N3O2/c1-2-18-30-26-22-25-16-12-17-27-28(25)32(23-26)29(33)31(27)19-9-3-4-10-20-34-21-11-8-15-24-13-6-5-7-14-24/h5-7,12-14,16-17,26,30H,2-4,8-11,15,18-23H2,1H3/t26-/m1/s1
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81n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237344
PNG
(CHEMBL4068455)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(16-4-2)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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84n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237344
PNG
(CHEMBL4068455)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(16-4-2)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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87n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237340
PNG
(CHEMBL4059581)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O2/c1-2-16-28-24-20-23-14-10-15-25-26(23)30(21-24)27(31)29(25)17-7-9-19-32-18-8-6-13-22-11-4-3-5-12-22/h3-5,10-12,14-15,24,28H,2,6-9,13,16-21H2,1H3/t24-/m1/s1
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94n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237345
PNG
(CHEMBL4100322)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1
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111n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237342
PNG
(CHEMBL4076129)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C31H45N3O2/c1-32-28-24-27-19-15-20-29-30(27)34(25-28)31(35)33(29)21-12-6-4-2-3-5-7-13-22-36-23-14-11-18-26-16-9-8-10-17-26/h8-10,15-17,19-20,28,32H,2-7,11-14,18,21-25H2,1H3/t28-/m1/s1
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113n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against progesterone receptor using human T47D breast carcinoma cell line


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237353
PNG
(CHEMBL4065353)
Show SMILES CCCN[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C26H31N5O2/c1-2-12-27-20-15-19-9-7-11-23-24(19)31(17-20)26(33)30(23)14-6-5-13-28-25(32)22-16-18-8-3-4-10-21(18)29-22/h3-4,7-11,16,20,27,29H,2,5-6,12-15,17H2,1H3,(H,28,32)/t20-/m1/s1
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115n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237352
PNG
(CHEMBL4060603)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C25H33N3O2/c1-26-22-18-21-13-9-14-23-24(21)28(19-22)25(29)27(23)15-6-8-17-30-16-7-5-12-20-10-3-2-4-11-20/h2-4,9-11,13-14,22,26H,5-8,12,15-19H2,1H3/t22-/m1/s1
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121n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237354
PNG
(CHEMBL4086953)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C33H49N3O2/c1-34-30-26-29-21-17-22-31-32(29)36(27-30)33(37)35(31)23-14-8-6-4-2-3-5-7-9-15-24-38-25-16-13-20-28-18-11-10-12-19-28/h10-12,17-19,21-22,30,34H,2-9,13-16,20,23-27H2,1H3/t30-/m1/s1
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124n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237351
PNG
(CHEMBL4071243)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O2/c1-28-24-20-23-15-11-16-25-26(23)30(21-24)27(31)29(25)17-8-2-3-9-18-32-19-10-7-14-22-12-5-4-6-13-22/h4-6,11-13,15-16,24,28H,2-3,7-10,14,17-21H2,1H3/t24-/m1/s1
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139n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237354
PNG
(CHEMBL4086953)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C33H49N3O2/c1-34-30-26-29-21-17-22-31-32(29)36(27-30)33(37)35(31)23-14-8-6-4-2-3-5-7-9-15-24-38-25-16-13-20-28-18-11-10-12-19-28/h10-12,17-19,21-22,30,34H,2-9,13-16,20,23-27H2,1H3/t30-/m1/s1
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141n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237345
PNG
(CHEMBL4100322)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C25H33N3O3/c1-26-22-18-21-11-7-12-23-24(21)28(19-22)25(29)27(23)13-15-31-17-16-30-14-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-12,22,26H,5-6,10,13-19H2,1H3/t22-/m1/s1
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227n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237343
PNG
(CHEMBL4100734)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C32H44N4O3/c1-33-26-21-25-13-12-14-29-31(25)36(23-26)32(38)35(29)19-10-8-6-4-2-3-5-7-9-11-20-39-27-17-15-24-16-18-30(37)34-28(24)22-27/h12-15,17,22,26,33H,2-11,16,18-21,23H2,1H3,(H,34,37)/t26-/m1/s1
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284n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237346
PNG
(CHEMBL4095452)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCOCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C28H36N4O6/c1-29-22-17-21-3-2-4-25-27(21)32(19-22)28(34)31(25)9-10-35-11-12-36-13-14-37-15-16-38-23-7-5-20-6-8-26(33)30-24(20)18-23/h2-5,7,18,22,29H,6,8-17,19H2,1H3,(H,30,33)/t22-/m1/s1
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306n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237349
PNG
(CHEMBL4077430)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C24H28N4O3/c1-25-18-13-17-5-4-6-21-23(17)28(15-18)24(30)27(21)11-2-3-12-31-19-9-7-16-8-10-22(29)26-20(16)14-19/h4-7,9,14,18,25H,2-3,8,10-13,15H2,1H3,(H,26,29)/t18-/m1/s1
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338n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D2 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237352
PNG
(CHEMBL4060603)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C25H33N3O2/c1-26-22-18-21-13-9-14-23-24(21)28(19-22)25(29)27(23)15-6-8-17-30-16-7-5-12-20-10-3-2-4-11-20/h2-4,9-11,13-14,22,26H,5-8,12,15-19H2,1H3/t22-/m1/s1
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377n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237348
PNG
(CHEMBL4096422)
Show SMILES CN(CCCCOc1ccc2CCC(=O)Nc2c1)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C24H28N4O3/c1-27(18-13-17-5-4-6-20-23(17)28(15-18)24(30)26-20)11-2-3-12-31-19-9-7-16-8-10-22(29)25-21(16)14-19/h4-7,9,14,18H,2-3,8,10-13,15H2,1H3,(H,25,29)(H,26,30)/t18-/m1/s1
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382n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity against Toxoplasma gondii purine nucleoside phosphorylase from cystic strain ME 49 (value indicates N...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237350
PNG
(CHEMBL4085282)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C27H37N3O4/c1-28-24-20-23-11-7-12-25-26(23)30(21-24)27(31)29(25)13-15-33-17-19-34-18-16-32-14-6-5-10-22-8-3-2-4-9-22/h2-4,7-9,11-12,24,28H,5-6,10,13-21H2,1H3/t24-/m1/s1
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558n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50056443
PNG
((R)-5-Methylamino-5,6-dihydro-1H,4H-imidazo[4,5,1-...)
Show SMILES CN[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C11H13N3O/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9/h2-4,8,12H,5-6H2,1H3,(H,13,15)/t8-/m1/s1
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573n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237343
PNG
(CHEMBL4100734)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C32H44N4O3/c1-33-26-21-25-13-12-14-29-31(25)36(23-26)32(38)35(29)19-10-8-6-4-2-3-5-7-9-11-20-39-27-17-15-24-16-18-30(37)34-28(24)22-27/h12-15,17,22,26,33H,2-11,16,18-21,23H2,1H3,(H,34,37)/t26-/m1/s1
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598n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237346
PNG
(CHEMBL4095452)
Show SMILES CN[C@@H]1Cc2cccc3n(CCOCCOCCOCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C28H36N4O6/c1-29-22-17-21-3-2-4-25-27(21)32(19-22)28(34)31(25)9-10-35-11-12-36-13-14-37-15-16-38-23-7-5-20-6-8-26(33)30-24(20)18-23/h2-5,7,18,22,29H,6,8-17,19H2,1H3,(H,30,33)/t22-/m1/s1
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640n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50237349
PNG
(CHEMBL4077430)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCOc4ccc5CCC(=O)Nc5c4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C24H28N4O3/c1-25-18-13-17-5-4-6-21-23(17)28(15-18)24(30)27(21)11-2-3-12-31-19-9-7-16-8-10-22(29)26-20(16)14-19/h4-7,9,14,18,25H,2-3,8,10-13,15H2,1H3,(H,26,29)/t18-/m1/s1
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1.35E+3n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-(+)-7-OH-DPAT from human dopamine D3 receptor expressed in HEK293 cell membranes after 90 mins by micro beta scintillation c...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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=1S/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-/m1/s1
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n/an/a 99n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 assess...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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=1S/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-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity for Progesterone receptor (PR) in human T47D breast carcinoma cells


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237344
PNG
(CHEMBL4068455)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(16-4-2)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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n/an/a 713n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity against progesterone receptor using human T47D breast carcinoma cell line


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237342
PNG
(CHEMBL4076129)
Show SMILES CN[C@@H]1Cc2cccc3n(CCCCCCCCCCOCCCCc4ccccc4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C31H45N3O2/c1-32-28-24-27-19-15-20-29-30(27)34(25-28)31(35)33(29)21-12-6-4-2-3-5-7-13-22-36-23-14-11-18-26-16-9-8-10-17-26/h8-10,15-17,19-20,28,32H,2-7,11-14,18,21-25H2,1H3/t28-/m1/s1
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n/an/a 802n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 assess...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
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=1S/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-/m1/s1
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n/an/a 931n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in forskolin stimulated-HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237344
PNG
(CHEMBL4068455)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(16-4-2)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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n/an/a 2.01E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in HEK293 cells coexpressing renilla luciferase-fused GalphaoA/GFP10-fused Ggamma2 assess...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237347
PNG
(CHEMBL4093477)
Show SMILES CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)[C@@H]1Cc2cccc3n(CCC)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)16-4-2/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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n/an/a 2.97E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Inhibitory constant against trypsin determined in Vitro


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50237344
PNG
(CHEMBL4068455)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3n(CCCCNC(=O)c4cc5ccccc5[nH]4)c(=O)n(C1)c23 |r|
Show InChI InChI=1S/C29H37N5O2/c1-3-15-32(16-4-2)23-18-22-11-9-13-26-27(22)34(20-23)29(36)33(26)17-8-7-14-30-28(35)25-19-21-10-5-6-12-24(21)31-25/h5-6,9-13,19,23,31H,3-4,7-8,14-18,20H2,1-2H3,(H,30,35)/t23-/m1/s1
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n/an/a 3.65E+3n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2 receptor expressed in forskolin stimulated-HEK293 cells coexpressing renilla luciferase-fused Galphai1/GFP10...


J Med Chem 60: 2890-2907 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01875
BindingDB Entry DOI: 10.7270/Q28P62SD
More data for this
Ligand-Target Pair
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