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PubMed code 11356115

Compile data set for download or QSAR
Found 108 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:15:16:24:19.21.20,25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
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 0.0400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099807
PNG
(CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...)
Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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 0.0400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099807
PNG
(CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...)
Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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 0.0500n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099794
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m0/s1
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 0.200n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:15:16:24:19.21.20,25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
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 0.200n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099800
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099802
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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 0.700n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099806
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m0/s1
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 0.800n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099817
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m0/s1
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 1n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099808
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)15-20(22)23(27)25-16-11-13-26(14-12-16)17-7-3-2-4-8-17/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,25,27)
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 1.10n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099797
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-11-7-6-10-19(20)22(25)16-21(23)24(28)26-17-12-14-27(15-13-17)18-8-4-2-3-5-9-18/h6-7,10-11,16-18H,2-5,8-9,12-15H2,1H3,(H,26,28)
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 1.10n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099799
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)
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 1.10n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099820
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-9-5-4-8-17(18)20(23)14-19(21)22(26)24-15-10-12-25(13-11-15)16-6-2-3-7-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,24,26)
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 1.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099826
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1
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 1.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(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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 1.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099814
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099803
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m1/s1
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 1.70n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099794
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m0/s1
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 1.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
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 1.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099798
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m0/s1
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 1.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099796
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m1/s1
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 2.40n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099812
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099795
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m0/s1
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 2.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099805
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1
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 2.60n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099803
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m1/s1
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 2.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099817
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m0/s1
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 3.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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 3.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099812
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m0/s1
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 3.60n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099798
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m0/s1
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 4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099794
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099799
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)
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 5.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099799
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-10-6-5-9-19(20)22(25)15-21(23)24(28)26-18-11-13-27(14-12-18)16-17-7-3-2-4-8-17/h2-10,15,18H,11-14,16H2,1H3,(H,26,28)
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 5.60n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099826
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1
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 5.70n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099806
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m0/s1
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 5.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099800
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1
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 5.80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099806
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m0/s1
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 5.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099814
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m1/s1
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 5.90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099825
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m1/s1
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 6.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099823
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,wD:28.32,16.17,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.72,;7.8,-5.49,;7.81,-7.03,;9.14,-7.8,;9.14,-9.35,;7.81,-10.12,;7.8,-11.66,;6.48,-9.35,;5.14,-10.12,;3.82,-9.35,;3.82,-7.8,;5.14,-7.04,;6.48,-7.81,;10.47,-7.03,;10.46,-5.49,;11.79,-7.8,;13.12,-7,;13.1,-5.49,;15.76,-5.49,;15.76,-7.03,;14.45,-7.77,;17.08,-7.8,;18.27,-6.51,;18.27,-5.04,;19.61,-4.56,;21.01,-5.13,;20.99,-6.67,;19.99,-7.94,;18.58,-7.38,;18.58,-5.79,;19.6,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m1/s1
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 6.20n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099804
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1C2CCCC1CCC2 |TLB:21:22:29.28.30:25.24.26|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-13-3-2-12-20(21)23(27)15-22(25)26(30)28-16-19-11-6-14-29(19)24-17-7-4-8-18(24)10-5-9-17/h2-3,12-13,15,17-19,24H,4-11,14,16H2,1H3,(H,28,30)/t17?,18?,19-,24?/m0/s1
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 7.5n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		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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 7.60n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099817
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m0/s1
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 9.70n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
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 11.4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099798
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m0/s1
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 11.8n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099814
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C23H23BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)13-20(22)23(27)25-17-11-12-26(15-17)14-16-7-3-2-4-8-16/h2-10,13,17H,11-12,14-15H2,1H3,(H,25,27)/t17-/m1/s1
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 12n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099793
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m0/s1
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 12n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099822
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m0/s1
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 12.7n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099823
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,wD:28.32,16.17,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.72,;7.8,-5.49,;7.81,-7.03,;9.14,-7.8,;9.14,-9.35,;7.81,-10.12,;7.8,-11.66,;6.48,-9.35,;5.14,-10.12,;3.82,-9.35,;3.82,-7.8,;5.14,-7.04,;6.48,-7.81,;10.47,-7.03,;10.46,-5.49,;11.79,-7.8,;13.12,-7,;13.1,-5.49,;15.76,-5.49,;15.76,-7.03,;14.45,-7.77,;17.08,-7.8,;18.27,-6.51,;18.27,-5.04,;19.61,-4.56,;21.01,-5.13,;20.99,-6.67,;19.99,-7.94,;18.58,-7.38,;18.58,-5.79,;19.6,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m1/s1
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 13n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099825
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m1/s1
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 13.2n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099824
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m0/s1
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 14.6n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099804
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1C2CCCC1CCC2 |TLB:21:22:29.28.30:25.24.26|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-13-3-2-12-20(21)23(27)15-22(25)26(30)28-16-19-11-6-14-29(19)24-17-7-4-8-18(24)10-5-9-17/h2-3,12-13,15,17-19,24H,4-11,14,16H2,1H3,(H,28,30)/t17?,18?,19-,24?/m0/s1
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 16.7n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099812
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m0/s1
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 19n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099803
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-11-7-6-10-18(19)21(24)14-20(22)23(27)25-16-12-13-26(15-16)17-8-4-2-3-5-9-17/h6-7,10-11,14,16-17H,2-5,8-9,12-13,15H2,1H3,(H,25,27)/t16-/m1/s1
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 19n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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 20.7n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099805
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1
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 22.9n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099797
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-11-7-6-10-19(20)22(25)16-21(23)24(28)26-17-12-14-27(15-13-17)18-8-4-2-3-5-9-18/h6-7,10-11,16-18H,2-5,8-9,12-15H2,1H3,(H,26,28)
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 23n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099819
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,17.18,wD:27.30,25.34,23.36,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m0/s1
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 23.4n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099804
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1C2CCCC1CCC2 |TLB:21:22:29.28.30:25.24.26|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-13-3-2-12-20(21)23(27)15-22(25)26(30)28-16-19-11-6-14-29(19)24-17-7-4-8-18(24)10-5-9-17/h2-3,12-13,15,17-19,24H,4-11,14,16H2,1H3,(H,28,30)/t17?,18?,19-,24?/m0/s1
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 26n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099800
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,16.17,wD:28.32,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.73,;7.77,-5.5,;7.81,-7.04,;9.12,-7.81,;9.12,-9.35,;7.81,-10.12,;7.77,-11.66,;6.46,-9.35,;5.14,-10.12,;3.8,-9.35,;3.8,-7.81,;5.14,-7.04,;6.46,-7.81,;10.47,-7.04,;10.44,-5.5,;11.79,-7.81,;13.1,-7,;13.1,-5.5,;15.76,-5.5,;15.76,-7.04,;14.45,-7.77,;17.08,-7.81,;18.27,-6.52,;18.27,-5.05,;19.61,-4.57,;20.99,-5.14,;20.99,-6.68,;19.97,-7.94,;18.55,-7.39,;18.55,-5.79,;19.58,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m0/s1
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 28n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099813
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099813
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m1/s1
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 31n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099801
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C27H35BrN2O2/c1-32-26-23-14-7-6-13-22(23)25(28)17-24(26)27(31)29-18-15-20-11-8-12-21(16-18)30(20)19-9-4-2-3-5-10-19/h6-7,13-14,17-21H,2-5,8-12,15-16H2,1H3,(H,29,31)
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 41n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		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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 47n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099811
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-22-13-6-5-12-21(22)24(27)16-23(25)26(30)28-17-14-19-10-7-11-20(15-17)29(19)18-8-3-2-4-9-18/h5-6,12-13,16-20H,2-4,7-11,14-15H2,1H3,(H,28,30)
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 48n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099792
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m1/s1
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 48n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099822
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m0/s1
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 50n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099795
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m0/s1
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 52n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099824
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m0/s1
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 56n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099818
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m0/s1
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 57n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099815
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid ((...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m1/s1
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 58n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099797
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-11-7-6-10-19(20)22(25)16-21(23)24(28)26-17-12-14-27(15-13-17)18-8-4-2-3-5-9-18/h6-7,10-11,16-18H,2-5,8-9,12-15H2,1H3,(H,26,28)
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 58n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099795
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m0/s1
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 59n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099796
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m1/s1
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 59n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099823
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:26.29,24.33,22.25,wD:28.32,16.17,TLB:19:21:23:26.30.25,THB:27:28:23:26.30.25,27:26:23:21.28.29,(6.46,-4.72,;7.8,-5.49,;7.81,-7.03,;9.14,-7.8,;9.14,-9.35,;7.81,-10.12,;7.8,-11.66,;6.48,-9.35,;5.14,-10.12,;3.82,-9.35,;3.82,-7.8,;5.14,-7.04,;6.48,-7.81,;10.47,-7.03,;10.46,-5.49,;11.79,-7.8,;13.12,-7,;13.1,-5.49,;15.76,-5.49,;15.76,-7.03,;14.45,-7.77,;17.08,-7.8,;18.27,-6.51,;18.27,-5.04,;19.61,-4.56,;21.01,-5.13,;20.99,-6.67,;19.99,-7.94,;18.58,-7.38,;18.58,-5.79,;19.6,-7,)|
Show InChI InChI=1S/C26H31BrN2O2/c1-31-25-21-5-3-2-4-20(21)23(27)13-22(25)26(30)28-19-6-7-29(14-19)24-17-9-15-8-16(11-17)12-18(24)10-15/h2-5,13,15-19,24H,6-12,14H2,1H3,(H,28,30)/t15-,16+,17-,18+,19-,24?/m1/s1
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 62n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099796
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m1/s1
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 63n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099819
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,17.18,wD:27.30,25.34,23.36,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m0/s1
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 68n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099811
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-22-13-6-5-12-21(22)24(27)16-23(25)26(30)28-17-14-19-10-7-11-20(15-17)29(19)18-8-3-2-4-9-18/h5-6,12-13,16-20H,2-4,7-11,14-15H2,1H3,(H,28,30)
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 69n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099821
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2Cc1ccccc1 |THB:15:16:24:19.21.20,25:24:16.17.23:19.21.20|
Show InChI InChI=1S/C27H29BrN2O2/c1-32-26-23-13-6-5-12-22(23)25(28)16-24(26)27(31)29-19-14-20-10-7-11-21(15-19)30(20)17-18-8-3-2-4-9-18/h2-6,8-9,12-13,16,19-21H,7,10-11,14-15,17H2,1H3,(H,29,31)
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 74n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099826
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-10-6-5-9-17(18)20(23)13-19(21)22(26)24-15-11-12-25(14-15)16-7-3-2-4-8-16/h5-6,9-10,13,15-16H,2-4,7-8,11-12,14H2,1H3,(H,24,26)/t15-/m1/s1
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 74n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099825
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m1/s1
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 75n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099802
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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 75n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099822
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCCC1
Show InChI InChI=1S/C24H31BrN2O2/c1-29-23-20-13-7-6-12-19(20)22(25)15-21(23)24(28)26-16-18-11-8-14-27(18)17-9-4-2-3-5-10-17/h6-7,12-13,15,17-18H,2-5,8-11,14,16H2,1H3,(H,26,28)/t18-/m0/s1
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 80n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099792
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m1/s1
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 90n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099810
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:27.35,25.27,29.31,wD:23.36,TLB:19:22:28:25.30.26,THB:24:23:28:25.30.26,24:25:23.22.31:28,(6.45,-6.28,;7.81,-7.06,;7.81,-8.6,;9.16,-9.38,;9.16,-10.93,;7.81,-11.71,;7.81,-13.25,;6.49,-10.93,;5.15,-11.71,;3.81,-10.93,;3.81,-9.38,;5.15,-8.61,;6.49,-9.39,;10.48,-8.6,;10.48,-7.06,;11.82,-9.38,;13.16,-8.58,;13.14,-7.06,;14.48,-6.28,;15.82,-7.06,;15.8,-8.6,;14.48,-9.35,;17.15,-6.29,;18.66,-5.87,;20.08,-6.44,;21.08,-5.17,;21.11,-3.64,;19.7,-3.06,;18.34,-3.52,;18.36,-5.03,;19.7,-5.51,;18.66,-4.28,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-5-3-2-4-21(22)24(28)15-23(26)27(31)29-20-6-8-30(9-7-20)25-18-11-16-10-17(13-18)14-19(25)12-16/h2-5,15-20,25H,6-14H2,1H3,(H,29,31)/t16-,17+,18-,19+,25?
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 92n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099808
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)15-20(22)23(27)25-16-11-13-26(14-12-16)17-7-3-2-4-8-17/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,25,27)
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 94n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099810
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:27.35,25.27,29.31,wD:23.36,TLB:19:22:28:25.30.26,THB:24:23:28:25.30.26,24:25:23.22.31:28,(6.45,-6.28,;7.81,-7.06,;7.81,-8.6,;9.16,-9.38,;9.16,-10.93,;7.81,-11.71,;7.81,-13.25,;6.49,-10.93,;5.15,-11.71,;3.81,-10.93,;3.81,-9.38,;5.15,-8.61,;6.49,-9.39,;10.48,-8.6,;10.48,-7.06,;11.82,-9.38,;13.16,-8.58,;13.14,-7.06,;14.48,-6.28,;15.82,-7.06,;15.8,-8.6,;14.48,-9.35,;17.15,-6.29,;18.66,-5.87,;20.08,-6.44,;21.08,-5.17,;21.11,-3.64,;19.7,-3.06,;18.34,-3.52,;18.36,-5.03,;19.7,-5.51,;18.66,-4.28,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-5-3-2-4-21(22)24(28)15-23(26)27(31)29-20-6-8-30(9-7-20)25-18-11-16-10-17(13-18)14-19(25)12-16/h2-5,15-20,25H,6-14H2,1H3,(H,29,31)/t16-,17+,18-,19+,25?
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 96n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099801
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C27H35BrN2O2/c1-32-26-23-14-7-6-13-22(23)25(28)17-24(26)27(31)29-18-15-20-11-8-12-21(16-18)30(20)19-9-4-2-3-5-10-19/h6-7,13-14,17-21H,2-5,8-12,15-16H2,1H3,(H,29,31)
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 96n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099810
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:27.35,25.27,29.31,wD:23.36,TLB:19:22:28:25.30.26,THB:24:23:28:25.30.26,24:25:23.22.31:28,(6.45,-6.28,;7.81,-7.06,;7.81,-8.6,;9.16,-9.38,;9.16,-10.93,;7.81,-11.71,;7.81,-13.25,;6.49,-10.93,;5.15,-11.71,;3.81,-10.93,;3.81,-9.38,;5.15,-8.61,;6.49,-9.39,;10.48,-8.6,;10.48,-7.06,;11.82,-9.38,;13.16,-8.58,;13.14,-7.06,;14.48,-6.28,;15.82,-7.06,;15.8,-8.6,;14.48,-9.35,;17.15,-6.29,;18.66,-5.87,;20.08,-6.44,;21.08,-5.17,;21.11,-3.64,;19.7,-3.06,;18.34,-3.52,;18.36,-5.03,;19.7,-5.51,;18.66,-4.28,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-5-3-2-4-21(22)24(28)15-23(26)27(31)29-20-6-8-30(9-7-20)25-18-11-16-10-17(13-18)14-19(25)12-16/h2-5,15-20,25H,6-14H2,1H3,(H,29,31)/t16-,17+,18-,19+,25?
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 121n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099793
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m0/s1
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 132n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099811
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-22-13-6-5-12-21(22)24(27)16-23(25)26(30)28-17-14-19-10-7-11-20(15-17)29(19)18-8-3-2-4-9-18/h5-6,12-13,16-20H,2-4,7-11,14-15H2,1H3,(H,28,30)
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 150n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099824
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m0/s1
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 151n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099801
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (9...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CC2CCCC(C1)N2C1CCCCCC1 |THB:15:16:24:19.21.20,25:24:16.23.17:19.21.20|
Show InChI InChI=1S/C27H35BrN2O2/c1-32-26-23-14-7-6-13-22(23)25(28)17-24(26)27(31)29-18-15-20-11-8-12-21(16-18)30(20)19-9-4-2-3-5-10-19/h6-7,13-14,17-21H,2-5,8-12,15-16H2,1H3,(H,29,31)
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 152n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099813
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-11-5-4-10-17(18)20(23)13-19(21)22(26)24-14-16-9-6-12-25(16)15-7-2-3-8-15/h4-5,10-11,13,15-16H,2-3,6-9,12,14H2,1H3,(H,24,26)/t16-/m1/s1
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 157n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099820
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-9-5-4-8-17(18)20(23)14-19(21)22(26)24-15-10-12-25(13-11-15)16-6-2-3-7-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,24,26)
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 210n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099809
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1Cc1ccccc1
Show InChI InChI=1S/C24H25BrN2O2/c1-29-23-20-12-6-5-11-19(20)22(25)14-21(23)24(28)26-15-18-10-7-13-27(18)16-17-8-3-2-4-9-17/h2-6,8-9,11-12,14,18H,7,10,13,15-16H2,1H3,(H,26,28)/t18-/m1/s1
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 230n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099792
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1CCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-10-3-2-9-16(17)19(22)12-18(20)21(25)23-13-15-8-5-11-24(15)14-6-4-7-14/h2-3,9-10,12,14-15H,4-8,11,13H2,1H3,(H,23,25)/t15-/m1/s1
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 277n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099802
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@@H]1CCN(C1)C1CCCC1
Show InChI InChI=1S/C21H25BrN2O2/c1-26-20-17-9-5-4-8-16(17)19(22)12-18(20)21(25)23-14-10-11-24(13-14)15-6-2-3-7-15/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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 283n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099819
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,17.18,wD:27.30,25.34,23.36,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m0/s1
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 300n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099818
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m0/s1
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 334n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099805
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.31,wD:27.30,25.34,23.36,17.18,TLB:30:25:31:22.29.28,21:22:24:27.31.26,THB:28:29:24:27.31.26,28:27:24:22.29.30,(7.12,-5.88,;8.45,-6.65,;8.47,-8.19,;9.8,-8.96,;9.8,-10.5,;8.47,-11.27,;8.45,-12.81,;7.13,-10.5,;5.79,-11.27,;4.47,-10.5,;4.47,-8.96,;5.79,-8.19,;7.13,-8.96,;11.13,-8.19,;11.11,-6.65,;12.45,-8.96,;13.77,-8.16,;15.11,-8.93,;15.49,-10.44,;17.33,-10.44,;17.74,-8.96,;16.43,-8.19,;16.39,-6.65,;17.9,-6.23,;19.31,-6.78,;20.31,-5.53,;20.34,-3.99,;18.93,-3.41,;17.58,-3.89,;17.59,-5.37,;18.93,-5.85,;17.9,-4.63,)|
Show InChI InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1
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 375n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099793
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2 |TLB:19:21:24.23.25:28.29.27|
Show InChI InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m0/s1
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 400n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099808
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-10-6-5-9-18(19)21(24)15-20(22)23(27)25-16-11-13-26(14-12-16)17-7-3-2-4-8-17/h5-6,9-10,15-17H,2-4,7-8,11-14H2,1H3,(H,25,27)
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 430n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099818
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1CCCCC1
Show InChI InChI=1S/C23H29BrN2O2/c1-28-22-19-12-6-5-11-18(19)21(24)14-20(22)23(27)25-15-17-10-7-13-26(17)16-8-3-2-4-9-16/h5-6,11-12,14,16-17H,2-4,7-10,13,15H2,1H3,(H,25,27)/t17-/m0/s1
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 442n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
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 771n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099820
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C22H27BrN2O2/c1-27-21-18-9-5-4-8-17(18)20(23)14-19(21)22(26)24-15-10-12-25(13-11-15)16-6-2-3-7-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,24,26)
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 899n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50099807
PNG
(CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...)
Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15|
Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)
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>1.00E+3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))		BDBM50099816
PNG
(4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1...)
Show SMILES COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1C2CCCC1CCC2
Show InChI InChI=1S/C26H33BrN2O2/c1-31-25-21-11-3-2-10-20(21)23(27)16-22(25)26(30)28-19-12-14-29(15-13-19)24-17-6-4-7-18(24)9-5-8-17/h2-3,10-11,16-19,24H,4-9,12-15H2,1H3,(H,28,30)
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 1.43E+3n/an/an/an/an/an/an/an/a



Wake Forest University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.

J Med Chem 44: 1815-26 (2001)


BindingDB Entry DOI: 10.7270/Q2NK3DBZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%