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14 similar compounds to monomer 73402

Compile data set for download or QSAR
Wt: 316.4
BDBM80454
Purchase
Wt: 332.4
BDBM80392
Wt: 290.4
BDBM80519
Purchase
Wt: 276.3
BDBM80393
Purchase
Wt: 263.3
BDBM94593
Purchase
Wt: 333.4
BDBM94507
Purchase
Wt: 331.4
BDBM50005686
Wt: 415.3
BDBM50010099
Wt: 304.4
BDBM50010100
Wt: 314.4
BDBM50010102
Wt: 353.4
BDBM50017716
Purchase
Wt: 347.4
BDBM50039188
Wt: 317.4
BDBM50039197
Purchase
Wt: 377.5
BDBM50038705

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 80454,80392,80519,80393,94593,94507,50005686,50010099,50010100,50010102,50017716,50039188,50039197,50038705   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010099
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-di...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1
Show InChI InChI=1S/C18H26INO2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
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)


Article DOI: 10.1021/jm00039a008
BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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4n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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7.90n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 961-70 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.005
BindingDB Entry DOI: 10.7270/Q2125R5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010102
PNG
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H26N2O2/c1-3-21(4-2)13-14-23-18(22)19(11-5-6-12-19)17-9-7-16(15-20)8-10-17/h7-10H,3-6,11-14H2,1-2H3
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8.10n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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9.90n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Muscarinic acetylcholine receptor M...


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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10.4n/an/an/an/an/an/an/an/a



Medical College of Georgia

Curated by PDSP Ki Database




J Pharmacol Exp Ther 289: 251-60 (1999)


BindingDB Entry DOI: 10.7270/Q2R49P9J
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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11n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in presence of [3H]- -(+)3 PPP


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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11n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in presence of [3H]- dextromethorphan


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50017716
PNG
(2,2-Diphenyl-pentanoic acid 2-diethylamino-ethyl e...)
Show SMILES CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-4-17-23(20-13-9-7-10-14-20,21-15-11-8-12-16-21)22(25)26-19-18-24(5-2)6-3/h7-16H,4-6,17-19H2,1-3H3
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17n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for Sigma receptor type 1,using [3H]-(+)-pentazocine as radioligand


Bioorg Med Chem Lett 14: 2217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.018
BindingDB Entry DOI: 10.7270/Q2R210T8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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19n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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19.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50010100
PNG
(1-(4-Amino-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C18H28N2O2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14,19H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]pirenzepine from muscarinic acetylcholine receptor M1 in rat cortex homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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23n/an/an/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Antimuscurinic potency and subset specificity of the compound was characterised by its inhibition of the [3H]-NMS Binding to Muscarinic acetylcholine...


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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32n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in presence of [3H]- - (+) pentazocine


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50039188
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-(2-diethylam...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO3/c1-3-22(4-2)15-16-24-17-18-25-20(23)21(13-9-6-10-14-21)19-11-7-5-8-12-19/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3
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34n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)-SKF 10047 as radioligand in rat brain


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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41n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in rat brain using E3H1-(+)-SKF 10047 as radioligand in rat brain


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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44n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Tested for its binding affinity towards sigma-1 site in rat brain, using [3H]-(+)-SKF- 10047 as radioligand


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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46.5n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against Sigma receptor type 1 was determined by the displacement of [3H]pentazocine radioligand


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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59n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting m...


Eur J Med Chem 125: 603-610 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.077
BindingDB Entry DOI: 10.7270/Q2J38VTR
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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67n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 250 uM DPH by liquid scintillation counting...


Eur J Med Chem 125: 603-610 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.077
BindingDB Entry DOI: 10.7270/Q2J38VTR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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76n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic m1 receptor


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010100
PNG
(1-(4-Amino-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1
Show InChI InChI=1S/C18H28N2O2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14,19H2,1-2H3
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116n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010099
PNG
(1-(4-Iodo-phenyl)-cyclopentanecarboxylic acid 2-di...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1
Show InChI InChI=1S/C18H26INO2/c1-3-20(4-2)13-14-22-17(21)18(11-5-6-12-18)15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50039188
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-(2-diethylam...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO3/c1-3-22(4-2)15-16-24-17-18-25-20(23)21(13-9-6-10-14-21)19-11-7-5-8-12-19/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3
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135n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic m1 receptor


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50039188
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-(2-diethylam...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H33NO3/c1-3-22(4-2)15-16-24-17-18-25-20(23)21(13-9-6-10-14-21)19-11-7-5-8-12-19/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3
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145n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic m2 receptor


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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151n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes after 150 mins in presence of 1 mM DPH by liquid scintillation counting m...


Eur J Med Chem 125: 603-610 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.077
BindingDB Entry DOI: 10.7270/Q2J38VTR
More data for this
Ligand-Target Pair
HTR3A


(GUINEA PIG)
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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165n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 267: 961-70 (1993)


Article DOI: 10.1016/j.bioorg.2015.05.005
BindingDB Entry DOI: 10.7270/Q2125R5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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167n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Binding affinity towards muscarinic m2 receptor


J Med Chem 37: 2285-91 (1994)


Article DOI: 10.1021/jm00041a006
BindingDB Entry DOI: 10.7270/Q29S1RPS
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)


Article DOI: 10.1021/jm00039a008
BindingDB Entry DOI: 10.7270/Q2QZ2BMR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50010102
PNG
(1-(4-Cyano-phenyl)-cyclopentanecarboxylic acid 2-d...)
Show SMILES CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C19H26N2O2/c1-3-21(4-2)13-14-23-18(22)19(11-5-6-12-19)17-9-7-16(15-20)8-10-17/h7-10H,3-6,11-14H2,1-2H3
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213n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H](-)-quinuclidinyl benzilate(QNB) from muscarinic (M2) receptor in rat heart homogenates


J Med Chem 34: 2984-9 (1991)


Article DOI: 10.1021/jm00114a005
BindingDB Entry DOI: 10.7270/Q27H1K5M
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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3.09E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity to kappa opioid receptor (unknown origin)


Eur J Med Chem 125: 603-610 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.077
BindingDB Entry DOI: 10.7270/Q2J38VTR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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>4.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Eur J Med Chem 125: 603-610 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.077
BindingDB Entry DOI: 10.7270/Q2J38VTR
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50039197
PNG
(1-Phenyl-cyclohexanecarboxylic acid 2-morpholin-4-...)
Show SMILES O=C(OCCN1CCOCC1)C1(CCCCC1)c1ccccc1
Show InChI InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
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5.34E+3n/an/an/an/an/an/an/an/a



NIDA-IRP

Curated by ChEMBL


Assay Description
Binding affinity against dopamine transporter was determined by the displacement of [3H]WIN-35428 radioligand in rat brain


J Med Chem 46: 2589-98 (2003)


Article DOI: 10.1021/jm030008u
BindingDB Entry DOI: 10.7270/Q2H70GJN
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80392
PNG
(1-phenyl-1-cyclopentanecarboxylic acid 3-(4-methyl...)
Show SMILES C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
Show InChI InChI=1S/C20H30NO3/c1-21(13-16-23-17-14-21)12-7-15-24-19(22)20(10-5-6-11-20)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3/q+1
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n/an/a 1.61E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80393
PNG
(MLS000552573 | SMR000146088 | Trimethyl-[2-(1-phen...)
Show SMILES C[N+](C)(C)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C17H26NO2/c1-18(2,3)13-14-20-16(19)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3/q+1
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n/an/a 1.06E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80454
PNG
(1-methyl-1-(2-{[(1-phenylcyclopentyl)carbonyl]oxy}...)
Show SMILES C[N+]1(CCOC(=O)C2(CCCC2)c2ccccc2)CCCCC1
Show InChI InChI=1S/C20H30NO2/c1-21(14-8-3-9-15-21)16-17-23-19(22)20(12-6-7-13-20)18-10-4-2-5-11-18/h2,4-5,10-11H,3,6-9,12-17H2,1H3/q+1
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n/an/a 3.89E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80519
PNG
(MLS000779749 | SMR000419932 | Trimethyl-[2-(1-phen...)
Show SMILES CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H28NO2/c1-15(14-19(2,3)4)21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3/q+1
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n/an/a 2.56E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80392
PNG
(1-phenyl-1-cyclopentanecarboxylic acid 3-(4-methyl...)
Show SMILES C[N+]1(CCCOC(=O)C2(CCCC2)c2ccccc2)CCOCC1
Show InChI InChI=1S/C20H30NO3/c1-21(13-16-23-17-14-21)12-7-15-24-19(22)20(10-5-6-11-20)18-8-3-2-4-9-18/h2-4,8-9H,5-7,10-17H2,1H3/q+1
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n/an/a 1.99E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80393
PNG
(MLS000552573 | SMR000146088 | Trimethyl-[2-(1-phen...)
Show SMILES C[N+](C)(C)CCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C17H26NO2/c1-18(2,3)13-14-20-16(19)17(11-7-8-12-17)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-14H2,1-3H3/q+1
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n/an/a 1.12E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80454
PNG
(1-methyl-1-(2-{[(1-phenylcyclopentyl)carbonyl]oxy}...)
Show SMILES C[N+]1(CCOC(=O)C2(CCCC2)c2ccccc2)CCCCC1
Show InChI InChI=1S/C20H30NO2/c1-21(14-8-3-9-15-21)16-17-23-19(22)20(12-6-7-13-20)18-10-4-2-5-11-18/h2,4-5,10-11H,3,6-9,12-17H2,1H3/q+1
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n/an/a 3.57E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80519
PNG
(MLS000779749 | SMR000419932 | Trimethyl-[2-(1-phen...)
Show SMILES CC(C[N+](C)(C)C)OC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C18H28NO2/c1-15(14-19(2,3)4)21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11,15H,8-9,12-14H2,1-4H3/q+1
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n/an/a 3.58E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94593
PNG
(2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxyp...)
Show SMILES CCC(C(=O)OCCN(CC)CC)c1ccccc1
Show InChI InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
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n/an/a 2.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM94593
PNG
(2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxyp...)
Show SMILES CCC(C(=O)OCCN(CC)CC)c1ccccc1
Show InChI InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
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n/an/a 2.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM94507
PNG
(2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopenta...)
Show SMILES CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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n/an/a 2.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM94593
PNG
(2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxyp...)
Show SMILES CCC(C(=O)OCCN(CC)CC)c1ccccc1
Show InChI InChI=1S/C16H25NO2/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3/h7-11,15H,4-6,12-13H2,1-3H3
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n/an/a 2.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Rattus norvegicus)
BDBM50005686
PNG
(2-Cyclohexyl-2-phenyl-propionic acid 2-diethylamin...)
Show SMILES CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1
Show InChI InChI=1/C21H33NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6,8-9,12-13,19H,4-5,7,10-11,14-17H2,1-3H3
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Article
PubMed
n/an/a 52n/an/an/an/an/an/a



Institute of Research

Curated by ChEMBL


Assay Description
Inhibition of the release of Alpha-amylase from rat pancreatic acinar cells.


J Med Chem 35: 1290-5 (1992)


Article DOI: 10.1021/jm00085a017
BindingDB Entry DOI: 10.7270/Q28914T0
More data for this
Ligand-Target Pair
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