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PubMed code 8027978

Compile data set for download or QSAR
Found 50 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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 0.0500n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 0.0500n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038717
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 3-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H32N2O4/c29-25(26(15-4-5-16-26)23-9-11-24(12-10-23)28(30)31)32-20-6-17-27-18-13-22(14-19-27)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2
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 0.270n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038718
PNG
(1-Phenyl-cyclopentanecarboxylic acid 3-(4-phenyl-p...)
Show SMILES O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33NO2/c28-25(26(16-7-8-17-26)24-12-5-2-6-13-24)29-21-9-18-27-19-14-23(15-20-27)22-10-3-1-4-11-22/h1-6,10-13,23H,7-9,14-21H2
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 0.5n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038715
PNG
(1-Phenyl-cyclopentanecarboxylic acid 4-(4-phenyl-p...)
Show SMILES O=C(OCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C27H35NO2/c29-26(27(17-7-8-18-27)25-13-5-2-6-14-25)30-22-10-9-19-28-20-15-24(16-21-28)23-11-3-1-4-12-23/h1-6,11-14,24H,7-10,15-22H2
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 0.510n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
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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 0.600n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain.

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038706
PNG
(1-Phenyl-cyclopentanecarboxylic acid 5-(4-phenyl-p...)
Show SMILES O=C(OCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C28H37NO2/c30-27(28(18-8-9-19-28)26-14-6-2-7-15-26)31-23-11-3-10-20-29-21-16-25(17-22-29)24-12-4-1-5-13-24/h1-2,4-7,12-15,25H,3,8-11,16-23H2
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 0.610n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038712
PNG
(1-(4-Methoxy-phenyl)-cyclopentanecarboxylic acid 3...)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C27H35NO3/c1-30-25-12-10-24(11-13-25)27(16-5-6-17-27)26(29)31-21-7-18-28-19-14-23(15-20-28)22-8-3-2-4-9-22/h2-4,8-13,23H,5-7,14-21H2,1H3
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 0.650n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038714
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 3-(4...)
Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H32INO2/c27-24-11-9-23(10-12-24)26(15-4-5-16-26)25(29)30-20-6-17-28-18-13-22(14-19-28)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2
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 0.880n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038711
PNG
(1-(4-Methoxy-phenyl)-cyclopentanecarboxylic acid 2...)
Show SMILES COc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H33NO3/c1-29-24-11-9-23(10-12-24)26(15-5-6-16-26)25(28)30-20-19-27-17-13-22(14-18-27)21-7-3-2-4-8-21/h2-4,7-12,22H,5-6,13-20H2,1H3
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 1n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
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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 1.10n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine (D2) receptor in rat using [3H]spiperone as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038713
PNG
(1-Phenyl-cyclopentanecarboxylic acid 6-(4-phenyl-p...)
Show SMILES O=C(OCCCCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C29H39NO2/c31-28(29(19-9-10-20-29)27-15-7-4-8-16-27)32-24-12-2-1-11-21-30-22-17-26(18-23-30)25-13-5-3-6-14-25/h3-8,13-16,26H,1-2,9-12,17-24H2
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 1.20n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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 1.20n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038708
PNG
(1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid 2-...)
Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30ClNO2/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)24(28)29-19-18-27-16-12-21(13-17-27)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 1.30n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038721
PNG
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C26H30N2O2/c27-20-21-8-10-24(11-9-21)26(14-4-5-15-26)25(29)30-19-18-28-16-12-23(13-17-28)22-6-2-1-3-7-22/h1-3,6-11,23H,4-5,12-19H2
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 1.30n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038709
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-(4...)
Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30INO2/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)24(28)29-19-18-27-16-12-21(13-17-27)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 1.40n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038720
PNG
(1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid 3-...)
Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)OCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C26H32ClNO2/c27-24-11-9-23(10-12-24)26(15-4-5-16-26)25(29)30-20-6-17-28-18-13-22(14-19-28)21-7-2-1-3-8-21/h1-3,7-12,22H,4-6,13-20H2
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 1.5n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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 2.10n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain.

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038719
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H29N3O4/c28-23(24(12-4-5-13-24)20-8-10-22(11-9-20)27(29)30)31-19-18-25-14-16-26(17-15-25)21-6-2-1-3-7-21/h1-3,6-11H,4-5,12-19H2
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 2.80n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038705
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-(4-phenyl-p...)
Show SMILES O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C25H31NO2/c27-24(25(15-7-8-16-25)23-11-5-2-6-12-23)28-20-19-26-17-13-22(14-18-26)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2
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 4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038723
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-(4...)
Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H29IN2O2/c25-21-10-8-20(9-11-21)24(12-4-5-13-24)23(28)29-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2
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 23n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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 26n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The compound was evaluated for affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain.

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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 32n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M2) receptor in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine receptor D1 in rat using [3H]SCH-23390 as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50038709
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-(4...)
Show SMILES Ic1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30INO2/c26-23-10-8-22(9-11-23)25(14-4-5-15-25)24(28)29-19-18-27-16-12-21(13-17-27)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 55n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Iodo derivative shows a potent sigma binding ligand, had some affinity for D2 site in rat

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038710
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-(4-phenyl-p...)
Show SMILES O=C(OCCN1CCN(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c27-23(24(13-7-8-14-24)21-9-3-1-4-10-21)28-20-19-25-15-17-26(18-16-25)22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
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 63n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM50038716
PNG
(1-(4-Chloro-phenyl)-cyclopentanecarboxylic acid 2-...)
Show SMILES Clc1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C24H29ClN2O2/c25-21-10-8-20(9-11-21)24(12-4-5-13-24)23(28)29-19-18-26-14-16-27(17-15-26)22-6-2-1-3-7-22/h1-3,6-11H,4-5,12-19H2
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 77n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 107n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Affinity at sigma-1 site by inhibition of [3H](+)-pentazocine (PENT) binding in guinea pig brain

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50038718
PNG
(1-Phenyl-cyclopentanecarboxylic acid 3-(4-phenyl-p...)
Show SMILES O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33NO2/c28-25(26(16-7-8-17-26)24-12-5-2-6-13-24)29-21-9-18-27-19-14-23(15-20-27)22-10-3-1-4-11-22/h1-6,10-13,23H,7-9,14-21H2
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 170n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50038705
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-(4-phenyl-p...)
Show SMILES O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C25H31NO2/c27-24(25(15-7-8-16-25)23-11-5-2-6-12-23)28-20-19-26-17-13-22(14-18-26)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2
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 170n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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 225n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine (D2) receptor in rat using [3H]spiperone as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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 525n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50038718
PNG
(1-Phenyl-cyclopentanecarboxylic acid 3-(4-phenyl-p...)
Show SMILES O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C26H33NO2/c28-25(26(16-7-8-17-26)24-12-5-2-6-13-24)29-21-9-18-27-19-14-23(15-20-27)22-10-3-1-4-11-22/h1-6,10-13,23H,7-9,14-21H2
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 670n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma 1 site over muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 744n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 880n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM73402
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine receptor D1 in rat using [3H]SCH-23390 as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50038710
PNG
(1-Phenyl-cyclopentanecarboxylic acid 2-(4-phenyl-p...)
Show SMILES O=C(OCCN1CCN(CC1)c1ccccc1)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C24H30N2O2/c27-23(24(13-7-8-14-24)21-9-3-1-4-10-21)28-20-19-25-15-17-26(18-16-25)22-11-5-2-6-12-22/h1-6,9-12H,7-8,13-20H2
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 1.47E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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 1.71E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma 1 site over muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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 2.14E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M1) receptor in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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 2.96E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma 1 site over muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine receptor D1 in rat using [3H]SCH-23390 as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50035131
PNG
((+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)...)
Show SMILES [#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against dopamine (D2) receptor in rat using [3H]spiperone as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)		BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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 5.07E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured as selectivity for sigma-1 site over muscarinic (M1) receptor in rat

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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 6.12E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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>7.00E+3n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over dopamine 2 in rat using [3H]SCH-23390 as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50366613
PNG
(DEXTROMETHORPHAN)
Show SMILES COc1ccc2C[C@H]3[C@H]4CCCC[C@@]4(CCN3C)c2c1 |r,THB:17:16:5.18.6:8|
Show InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
Binding affinity was measured against muscarinic (M2) receptor at 10 uM in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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>1.76E+4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over muscarinic 1 in rat using [3H]pirenzepine as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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>3.42E+4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over muscarinic 2 in rat using [3H]QN as radioligand

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50038707
PNG
(1-(4-Nitro-phenyl)-cyclopentanecarboxylic acid 2-(...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C25H30N2O4/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20/h1-3,6-11,21H,4-5,12-19H2
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>5.80E+4n/an/an/an/an/an/an/an/a



Albany Molecular Research

Curated by ChEMBL


Assay Description
The nitro derivative RLH-033 shows significant selectivity for the [3H]-(=)-PENT site over Dopamine receptor D2 in rat using [3H]SCH-23390 as radioli...

J Med Chem 37: 1964-70 (1994)


BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%