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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'sassano' and Initial = 'mf'   
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))
BDBM50349866
PNG
(CHEMBL160296 | CHEMBL1813590 | UNC10108016 | US915...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-29-23-7-3-2-6-22(23)27-15-13-26(14-16-27)12-4-5-17-30-20-10-8-19-9-11-24(28)25-21(19)18-20/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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0.300n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2C receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT1A receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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0.600n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT2B receptor


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395569
PNG
(CHEMBL2165119 | UNC10099975 | US9156822, 3 or UNC9...)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C23H28Cl2N4O2/c24-18-5-3-6-19(22(18)25)29-13-4-12-28(14-15-29)11-1-2-16-31-21-10-8-17-7-9-20(30)26-23(17)27-21/h3,5-6,8,10H,1-2,4,7,9,11-16H2,(H,26,27,30)
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1.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395567
PNG
(CHEMBL443034)
Show SMILES CCOc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-2-30-24-8-4-3-7-23(24)28-16-14-27(15-17-28)13-5-6-18-31-21-11-9-20-10-12-25(29)26-22(20)19-21/h3-4,7-9,11,19H,2,5-6,10,12-18H2,1H3,(H,26,29)
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2.80n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395562
PNG
(CHEMBL160921)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccc3C#N)cc2N1
Show InChI InChI=1S/C24H28N4O2/c25-18-20-5-1-2-6-23(20)28-14-12-27(13-15-28)11-3-4-16-30-21-9-7-19-8-10-24(29)26-22(19)17-21/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,26,29)
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2.90n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395566
PNG
(CHEMBL2165121)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C26H35N3O3/c1-20(2)32-25-8-4-3-7-24(25)29-16-14-28(15-17-29)13-5-6-18-31-22-11-9-21-10-12-26(30)27-23(21)19-22/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,27,30)
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3.10n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395568
PNG
(CHEMBL2165120 | UNC10099978 | US9156822, 4)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-10,17H,1-2,4,11-16H2,(H,27,30)
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3.40n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343260
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4n3)CC2)c1Cl
Show InChI InChI=1S/C22H26Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-5,7,9H,1-2,6,8,10-15H2,(H,25,26,29)
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3.40n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395587
PNG
(CHEMBL2165126 | UNC10000006 | US9156822, 2)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H29Cl2N3O2/c25-20-5-3-6-22(24(20)26)29-13-4-12-28(14-15-29)11-1-2-16-31-19-9-7-18-8-10-23(30)27-21(18)17-19/h3,5-7,9,17H,1-2,4,8,10-16H2,(H,27,30)
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3.60n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395563
PNG
(CHEMBL157923)
Show SMILES Clc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H28ClN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
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3.70n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
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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3.90n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395560
PNG
(CHEMBL2165122)
Show SMILES FC(F)(F)c1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)20-5-1-2-6-22(20)30-14-12-29(13-15-30)11-3-4-16-32-19-9-7-18-8-10-23(31)28-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,28,31)
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4.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395565
PNG
(CHEMBL160357)
Show SMILES O=C1CCc2ccc(OCCCCN3CCN(CC3)c3ccccc3)cc2N1
Show InChI InChI=1S/C23H29N3O2/c27-23-11-9-19-8-10-21(18-22(19)24-23)28-17-5-4-12-25-13-15-26(16-14-25)20-6-2-1-3-7-20/h1-3,6-8,10,18H,4-5,9,11-17H2,(H,24,27)
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4.30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395564
PNG
(CHEMBL160630)
Show SMILES Fc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C23H28FN3O2/c24-20-5-1-2-6-22(20)27-14-12-26(13-15-27)11-3-4-16-29-19-9-7-18-8-10-23(28)25-21(18)17-19/h1-2,5-7,9,17H,3-4,8,10-16H2,(H,25,28)
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5.5n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395570
PNG
(CHEMBL2165118 | UNC10099983 | US9156822, 5)
Show SMILES Clc1cccc(N2CCCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-20-4-1-5-21(22(20)25)28-12-2-10-27(13-14-28)11-3-15-30-18-7-6-17-8-9-26-23(29)19(17)16-18/h1,4-7,16H,2-3,8-15H2,(H,26,29)
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5.70n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395561
PNG
(CHEMBL346129)
Show SMILES Cc1ccccc1N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C24H31N3O2/c1-19-6-2-3-7-23(19)27-15-13-26(14-16-27)12-4-5-17-29-21-10-8-20-9-11-24(28)25-22(20)18-21/h2-3,6-8,10,18H,4-5,9,11-17H2,1H3,(H,25,28)
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5.90n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395554
PNG
(CHEMBL161792)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4ccc(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/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/h3-9,16H,1-2,10-15H2,(H,26,29)
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7.30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395557
PNG
(CHEMBL160744)
Show SMILES Cc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1C
Show InChI InChI=1S/C25H33N3O2/c1-19-6-5-7-24(20(19)2)28-15-13-27(14-16-28)12-3-4-17-30-22-10-8-21-9-11-25(29)26-23(21)18-22/h5-8,10,18H,3-4,9,11-17H2,1-2H3,(H,26,29)
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8.10n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395556
PNG
(CHEMBL2165125)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C24H28Cl2N2O2/c25-21-5-3-4-20(24(21)26)17-10-13-28(14-11-17)12-1-2-15-30-19-8-6-18-7-9-23(29)27-22(18)16-19/h3-6,8,16-17H,1-2,7,9-15H2,(H,27,29)
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11n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395573
PNG
(CHEMBL2165115 | UNC10108006 | US9156822, 24)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-5-3-4-17(21(18)24)15-8-11-27(12-9-15)10-1-2-13-29-16-6-7-19-20(14-16)26-22(28)25-19/h3-7,14-15H,1-2,8-13H2,(H2,25,26,28)
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11n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395580
PNG
(CHEMBL2165135 | UNC10099990 | US9156822, 35)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C21H24Cl2N4O2/c22-16-4-3-5-19(20(16)23)27-11-9-26(10-12-27)8-1-2-13-29-15-6-7-17-18(14-15)25-21(28)24-17/h3-7,14H,1-2,8-13H2,(H2,24,25,28)
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15n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395579
PNG
(CHEMBL2165136 | UNC10099991 | US9156822, 36)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-4-3-5-19(21(17)23)26-11-9-25(10-12-26)8-1-2-13-27-16-6-7-20-18(14-16)24-15-28-20/h3-7,14-15H,1-2,8-13H2
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17n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395574
PNG
(CHEMBL2165114 | UNC10099992 | US9156822, 7)
Show SMILES Clc1cccc(N2CCCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3OS/c23-18-5-3-6-20(22(18)24)27-11-4-10-26(12-13-27)9-1-2-14-28-17-7-8-21-19(15-17)25-16-29-21/h3,5-8,15-16H,1-2,4,9-14H2
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18n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395571
PNG
(CHEMBL2165117 | UNC10099981 | US9156822, 32)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-19-3-1-4-20(21(19)24)27-12-10-26(11-13-27)9-2-14-29-17-6-5-16-7-8-25-22(28)18(16)15-17/h1,3-6,15H,2,7-14H2,(H,25,28)
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18n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395582
PNG
(CHEMBL2165133 | UNC10000004 | US9156822, 25)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCNC(=O)c4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-20-4-3-5-21(22(20)25)28-13-11-27(12-14-28)10-1-2-15-30-18-7-6-17-8-9-26-23(29)19(17)16-18/h3-7,16H,1-2,8-15H2,(H,26,29)
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18n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395575
PNG
(CHEMBL2165140 | UNC10099996 | US9156822, 8)
Show SMILES Clc1cccc(N2CCCN(CCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-4-1-5-19(21(17)23)26-10-2-8-25(11-12-26)9-3-13-27-16-6-7-20-18(14-16)24-15-28-20/h1,4-7,14-15H,2-3,8-13H2
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20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395555
PNG
(CHEMBL2165127)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H25Cl2N3O2/c23-18-3-1-4-20(22(18)24)27-12-10-26(11-13-27)9-2-14-29-17-7-5-16-6-8-21(28)25-19(16)15-17/h1,3-5,7,15H,2,6,8-14H2,(H,25,28)
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21n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395559
PNG
(CHEMBL2165123)
Show SMILES CCOc1cccc(c1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-2-30-22-7-5-6-21(18-22)28-15-13-27(14-16-28)12-3-4-17-31-23-10-8-20-9-11-25(29)26-24(20)19-23/h5-8,10,18-19H,2-4,9,11-17H2,1H3,(H,26,29)
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21n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395576
PNG
(CHEMBL2165139 | UNC10099995 | US9156822, 23)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C20H21Cl2N3OS/c21-16-3-1-4-18(20(16)22)25-10-8-24(9-11-25)7-2-12-26-15-5-6-19-17(13-15)23-14-27-19/h1,3-6,13-14H,2,7-12H2
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30n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395578
PNG
(CHEMBL2165137 | UNC10099993 | US9156822, 21)
Show SMILES Clc1cccc(C2CCN(CCCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N2OS/c23-19-5-3-4-18(22(19)24)16-8-11-26(12-9-16)10-1-2-13-27-17-6-7-21-20(14-17)25-15-28-21/h3-7,14-16H,1-2,8-13H2
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42n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395558
PNG
(CHEMBL2165124)
Show SMILES CCOc1ccc(cc1)N1CCN(CCCCOc2ccc3CCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C25H33N3O3/c1-2-30-22-10-7-21(8-11-22)28-16-14-27(15-17-28)13-3-4-18-31-23-9-5-20-6-12-25(29)26-24(20)19-23/h5,7-11,19H,2-4,6,12-18H2,1H3,(H,26,29)
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53n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395581
PNG
(CHEMBL2165134 | UNC10000010 | US9156822, 28)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C21H24Cl2N4O/c22-18-4-3-5-20(21(18)23)27-11-9-26(10-12-27)8-1-2-13-28-17-7-6-16-15-24-25-19(16)14-17/h3-7,14-15H,1-2,8-13H2,(H,24,25)
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66n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395577
PNG
(CHEMBL2165138 | UNC10099994 | US9156822, 22)
Show SMILES Clc1cccc(C2CCN(CCCOc3ccc4scnc4c3)CC2)c1Cl
Show InChI InChI=1S/C21H22Cl2N2OS/c22-18-4-1-3-17(21(18)23)15-7-10-25(11-8-15)9-2-12-26-16-5-6-20-19(13-16)24-14-27-20/h1,3-6,13-15H,2,7-12H2
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75n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395572
PNG
(CHEMBL2165116 | UNC10099976 | US9156822, 20)
Show SMILES Clc1cccc(N2CCN(CCCOc3ccc4cn[nH]c4c3)CC2)c1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c21-17-3-1-4-19(20(17)22)26-10-8-25(9-11-26)7-2-12-27-16-6-5-15-14-23-24-18(15)13-16/h1,3-6,13-14H,2,7-12H2,(H,23,24)
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104n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395583
PNG
(CHEMBL2165132 | UNC10099973 | US9156822, 31)
Show SMILES Clc1cccc(N2CCN(Cc3ccc(Oc4ccc5CCC(=O)Nc5c4)cc3)CC2)c1Cl
Show InChI InChI=1S/C26H25Cl2N3O2/c27-22-2-1-3-24(26(22)28)31-14-12-30(13-15-31)17-18-4-8-20(9-5-18)33-21-10-6-19-7-11-25(32)29-23(19)16-21/h1-6,8-10,16H,7,11-15,17H2,(H,29,32)
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108n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395584
PNG
(CHEMBL2165131 | UNC10099972 | US9156822, 30)
Show SMILES Clc1cccc(N2CCN(Cc3cccc(Oc4ccc5CCC(=O)Nc5c4)c3)CC2)c1Cl
Show InChI InChI=1S/C26H25Cl2N3O2/c27-22-5-2-6-24(26(22)28)31-13-11-30(12-14-31)17-18-3-1-4-20(15-18)33-21-9-7-19-8-10-25(32)29-23(19)16-21/h1-7,9,15-16H,8,10-14,17H2,(H,29,32)
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113n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395586
PNG
(CHEMBL2165128)
Show SMILES Clc1cccc(N2CCN(C[C@H]3CC[C@H](COc4ccc5CCC(=O)Nc5c4)CC3)CC2)c1Cl |r,wU:11.10,wD:14.14,(.73,-4.74,;.75,-6.28,;-.59,-7.06,;-.55,-8.61,;.79,-9.36,;2.11,-8.57,;3.45,-9.32,;3.47,-10.85,;4.81,-11.61,;6.13,-10.82,;7.46,-11.58,;8.79,-10.79,;8.77,-9.25,;10.1,-8.47,;11.45,-9.22,;12.77,-8.44,;12.76,-6.9,;14.07,-6.1,;15.42,-6.85,;16.74,-6.05,;16.7,-4.52,;18.03,-3.72,;18,-2.18,;16.64,-1.42,;16.6,.12,;15.3,-2.23,;15.34,-3.77,;14.03,-4.57,;11.46,-10.76,;10.14,-11.54,;6.12,-9.28,;4.78,-8.54,;2.09,-7.03,;3.42,-6.24,)|
Show InChI InChI=1S/C27H33Cl2N3O2/c28-23-2-1-3-25(27(23)29)32-14-12-31(13-15-32)17-19-4-6-20(7-5-19)18-34-22-10-8-21-9-11-26(33)30-24(21)16-22/h1-3,8,10,16,19-20H,4-7,9,11-15,17-18H2,(H,30,33)/t19-,20-
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145n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395589
PNG
(CHEMBL2165130)
Show SMILES Clc1cccc(N2CCN(C[C@@H]3C[C@H]3OCc3ccc4CCC(=O)Nc4c3)CC2)c1Cl |r|
Show InChI InChI=1S/C24H27Cl2N3O2/c25-19-2-1-3-21(24(19)26)29-10-8-28(9-11-29)14-18-13-22(18)31-15-16-4-5-17-6-7-23(30)27-20(17)12-16/h1-5,12,18,22H,6-11,13-15H2,(H,27,30)/t18-,22+/m0/s1
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235n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50442179
PNG
(CHEMBL2441619)
Show SMILES Cc1ccc2nc(cc(N3CCNCC3)c2c1)C(F)(F)F
Show InChI InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
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399n/an/an/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


ACS Med Chem Lett 4: 1005-1010 (2013)


Article DOI: 10.1021/ml400312j
BindingDB Entry DOI: 10.7270/Q2RR20PR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50395585
PNG
(CHEMBL2165129 | UNC10000009 | US9156822, 27)
Show SMILES Clc1cccc(N2CCN(CC#CCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/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,7,9-15H2,(H,26,29)
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1.00E+3n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method


J Med Chem 55: 7141-53 (2012)


Article DOI: 10.1021/jm300603y
BindingDB Entry DOI: 10.7270/Q2JD4XXH
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of North Carolina Chapel Hill School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera...


J Med Chem 56: 2406-14 (2013)


Article DOI: 10.1021/jm301749y
BindingDB Entry DOI: 10.7270/Q2J38TW7
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O |r|
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of North Carolina Chapel Hill School of Medicine

Curated by ChEMBL


Assay Description
Inverse agonist activity at CCR4 in human HTLA cells assessed as depression of basal activity incubated for 20 mins by beta arrestin-recruitment medi...


J Med Chem 56: 2406-14 (2013)


Article DOI: 10.1021/jm301749y
BindingDB Entry DOI: 10.7270/Q2J38TW7
More data for this
Ligand-Target Pair
Vasopressin V2 receptor (V2)


(Homo sapiens (Human))
BDBM50427695
PNG
(CHEMBL2324200)
Show SMILES Oc1cc(I)c(c(I)c1)C1(OC(=O)c2ccccc12)c1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C20H10I4O4/c21-13-7-10(25)8-14(22)17(13)20(9-5-15(23)18(26)16(24)6-9)12-4-2-1-3-11(12)19(27)28-20/h1-8,25-26H
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n/an/a 400n/an/an/an/an/an/a



University of North Carolina Chapel Hill School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of vasopressin-stimulated vasopressin V2 receptor in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruit...


J Med Chem 56: 2406-14 (2013)


Article DOI: 10.1021/jm301749y
BindingDB Entry DOI: 10.7270/Q2J38TW7
More data for this
Ligand-Target Pair
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