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Compile Data Set for Download or QSAR

Found 119 hits Enz. Inhib. hit(s) with all data for entry = 50000653   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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0.330n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.430n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50257038
PNG
(CHEMBL146556 | S-18126)
Show SMILES C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2
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1.60n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of sigma1 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.30n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50050476
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-p...)
Show SMILES Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257032
PNG
(CHEMBL4080034)
Show SMILES COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 |r|
Show InChI InChI=1S/C19H21Cl2NO3/c1-23-18-7-6-16(21)10-19(18)25-13-17-12-22(8-9-24-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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3n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50051565
PNG
(4-[4-((S)-2-Isochroman-1-yl-ethyl)-piperazin-1-yl]...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC[C@@H]2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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4n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257039
PNG
(CHEMBL4066603)
Show SMILES CCOc1ccccc1CC1CN(Cc2ccc(Cl)cc2)CCCO1
Show InChI InChI=1S/C21H26ClNO2/c1-2-24-21-7-4-3-6-18(21)14-20-16-23(12-5-13-25-20)15-17-8-10-19(22)11-9-17/h3-4,6-11,20H,2,5,12-16H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257008
PNG
(CHEMBL4104272)
Show SMILES C(Oc1ccccc1)C1CN(Cc2c[nH]c3ccccc23)CCO1
Show InChI InChI=1S/C20H22N2O2/c1-2-6-17(7-3-1)24-15-18-14-22(10-11-23-18)13-16-12-21-20-9-5-4-8-19(16)20/h1-9,12,18,21H,10-11,13-15H2
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5.60n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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5.80n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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6n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257035
PNG
(CHEMBL4069306)
Show SMILES C(Cc1ccccc1)C1CN(Cc2c[nH]c3ccccc23)CCO1
Show InChI InChI=1S/C21H24N2O/c1-2-6-17(7-3-1)10-11-19-16-23(12-13-24-19)15-18-14-22-21-9-5-4-8-20(18)21/h1-9,14,19,22H,10-13,15-16H2
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6.20n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50257033
PNG
(CHEMBL4095082)
Show SMILES Cc1ccc(cc1C)N1CCN(CCC2C(=O)Nc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-20-19-5-3-4-6-21(19)23-22(20)26/h3-8,15,20H,9-14H2,1-2H3,(H,23,26)
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8.80n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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10n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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38n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha1 adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50092040
PNG
(2-[4-(4-Chloro-benzyl)-piperazin-1-yl]-N-methyl-N-...)
Show SMILES CN(C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C20H24ClN3O/c1-22(19-5-3-2-4-6-19)20(25)16-24-13-11-23(12-14-24)15-17-7-9-18(21)10-8-17/h2-10H,11-16H2,1H3
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59n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D4 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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82n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of sigma1 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369653
PNG
(CHEMBL1202212)
Show SMILES Clc1ccc(cc1Cl)N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1 |r|
Show InChI InChI=1S/C20H22Cl2N2/c21-19-7-6-17(13-20(19)22)24-10-8-23(9-11-24)14-16-12-18(16)15-4-2-1-3-5-15/h1-7,13,16,18H,8-12,14H2/t16-,18-/m1/s1
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93n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50119970
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-me...)
Show SMILES C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(C)cc2)CC1
Show InChI InChI=1S/C23H29N3O/c1-18-7-9-20(10-8-18)16-24-11-13-25(14-12-24)17-23(27)26-19(2)15-21-5-3-4-6-22(21)26/h3-10,19H,11-17H2,1-2H3/t19-/m1/s1
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113n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50257032
PNG
(CHEMBL4080034)
Show SMILES COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 |r|
Show InChI InChI=1S/C19H21Cl2NO3/c1-23-18-7-6-16(21)10-19(18)25-13-17-12-22(8-9-24-17)11-14-2-4-15(20)5-3-14/h2-7,10,17H,8-9,11-13H2,1H3/t17-/m0/s1
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133n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50092051
PNG
(3-[4-(4-Chloro-benzyl)-piperazin-1-yl]-1-methyl-3,...)
Show SMILES CN1C(=O)C(Cc2ccccc12)N1CCN(Cc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C21H24ClN3O/c1-23-19-5-3-2-4-17(19)14-20(21(23)26)25-12-10-24(11-13-25)15-16-6-8-18(22)9-7-16/h2-9,20H,10-15H2,1H3
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133n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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134n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT1A receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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145n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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160n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2B adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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170n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50257037
PNG
(CHEMBL103772 | [3H]NGD-941)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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180n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT1A receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50069041
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
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180n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT1A receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2A/Alpha-2B/Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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181n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2 adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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199n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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200n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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230n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2C adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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231n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of sigma2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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232n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of sigma1 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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240n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50257038
PNG
(CHEMBL146556 | S-18126)
Show SMILES C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2
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249n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50257034
PNG
(CHEMBL4096543)
Show SMILES CC(C)Oc1cccnc1N(C)C1CCN(Cc2ccc(I)cc2)CC1
Show InChI InChI=1S/C21H28IN3O/c1-16(2)26-20-5-4-12-23-21(20)24(3)19-10-13-25(14-11-19)15-17-6-8-18(22)9-7-17/h4-9,12,16,19H,10-11,13-15H2,1-3H3
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273n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50257038
PNG
(CHEMBL146556 | S-18126)
Show SMILES C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2
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336n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2C adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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368n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2B adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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370n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50257008
PNG
(CHEMBL4104272)
Show SMILES C(Oc1ccccc1)C1CN(Cc2c[nH]c3ccccc23)CCO1
Show InChI InChI=1S/C20H22N2O2/c1-2-6-17(7-3-1)24-15-18-14-22(10-11-23-18)13-16-12-21-20-9-5-4-8-19(16)20/h1-9,12,18,21H,10-11,13-15H2
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400n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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411n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM85067
PNG
(CAS_170856-41-4 | CHEMBL81330 | PNU 96415E | PNU-9...)
Show SMILES Fc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C21H25FN2O/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21/h1-8,21H,9-16H2
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411n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D1 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50083342
PNG
(7-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-4H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2ccc3NC(=O)COc3c2)CC1
Show InChI InChI=1S/C19H20ClN3O2/c20-15-2-4-16(5-3-15)23-9-7-22(8-10-23)12-14-1-6-17-18(11-14)25-13-19(24)21-17/h1-6,11H,7-10,12-13H2,(H,21,24)
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413n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D2 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50050476
PNG
(4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-p...)
Show SMILES Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
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480n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of human dopamine D3 receptor


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50069041
PNG
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)
Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1
Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
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500n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT2 receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50257038
PNG
(CHEMBL146556 | S-18126)
Show SMILES C(C1Cc2ccccc2C1)N1CCN(CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C22H26N2O2/c1-2-4-19-14-17(13-18(19)3-1)16-23-7-9-24(10-8-23)20-5-6-21-22(15-20)26-12-11-25-21/h1-6,15,17H,7-14,16H2
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540n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Sciences, College of Pharmacy, University of Nebraska Medical Center , Omaha, Nebraska 68198-6125, United States.

Curated by ChEMBL


Assay Description
Inhibition of serotonin 5-HT1A receptor (unknown origin)


J Med Chem 60: 7233-7243 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00151
BindingDB Entry DOI: 10.7270/Q2P84FBZ
More data for this
Ligand-Target Pair
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