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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50036141   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50037272
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor in bovine hippocampal preparation using [3H]8-OH-DPAT


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368641
PNG
(CHEMBL1744088)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368635
PNG
(CHEMBL1744035)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368638
PNG
(CHEMBL1744037)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368637
PNG
(CHEMBL1744036)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368639
PNG
(CHEMBL1788190)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368632
PNG
(CHEMBL1788192)
Show SMILES CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368633
PNG
(CHEMBL1788324)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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3.10n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368631
PNG
(CHEMBL1744038)
Show SMILES CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368640
PNG
(CHEMBL1744089)
Show SMILES CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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13n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50037272
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1
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35n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368638
PNG
(CHEMBL1744037)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m1/s1
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38n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368641
PNG
(CHEMBL1744088)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m1/s1
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44n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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93n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368636
PNG
(CHEMBL1788325)
Show SMILES CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m0/s1
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103n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50368634
PNG
(CHEMBL1788191)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m0/s1
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108n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368637
PNG
(CHEMBL1744036)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m1/s1
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215n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368633
PNG
(CHEMBL1788324)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m0/s1
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>333n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368632
PNG
(CHEMBL1788192)
Show SMILES CCCN(CC1CC1)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m1/s1
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389n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368640
PNG
(CHEMBL1744089)
Show SMILES CCCN[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m1/s1
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857n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368635
PNG
(CHEMBL1744035)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m0/s1
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896n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368634
PNG
(CHEMBL1788191)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C27H38N4O3/c1-4-11-30(12-5-6-13-31-24(32)16-27(2,3)17-25(31)33)19-9-7-18-8-10-22-21(20(18)14-19)15-23(29-22)26(28)34/h8,10,15,19,29H,4-7,9,11-14,16-17H2,1-3H3,(H2,28,34)/t19-/m0/s1
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914n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368639
PNG
(CHEMBL1788190)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368631
PNG
(CHEMBL1744038)
Show SMILES CCCN(CC1CC1)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C20H27N3O/c1-2-9-23(12-13-3-4-13)15-7-5-14-6-8-18-17(16(14)10-15)11-19(22-18)20(21)24/h6,8,11,13,15,22H,2-5,7,9-10,12H2,1H3,(H2,21,24)/t15-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368636
PNG
(CHEMBL1788325)
Show SMILES CCCN[C@H]1CCc2ccc3[nH]c(cc3c2C1)C(N)=O
Show InChI InChI=1S/C16H21N3O/c1-2-7-18-11-5-3-10-4-6-14-13(12(10)8-11)9-15(19-14)16(17)20/h4,6,9,11,18-19H,2-3,5,7-8H2,1H3,(H2,17,20)/t11-/m0/s1
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>1.67E+3n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]U-86170 from human D2-dopamine receptor expressed in CHO K1 cells


J Med Chem 36: 2066-74 (1993)


Article DOI: 10.1021/jm00067a003
BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair