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5 similar compounds to monomer 15579

Compile data set for download or QSAR
Wt: 187.2
BDBM39862
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Wt: 253.3
BDBM50041265
Wt: 253.3
BDBM50041276
Wt: 219.2
BDBM50355806
Wt: 163.2
BDBM50368223
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 39862,50041265,50041276,50355806,50368223   
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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Article
PubMed
4.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in guinea pig cerebral homogenate using [3H]haloperidol as radioligand


J Med Chem 34: 1094-8 (1991)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041265
PNG
(CHEMBL436542 | Methyl-((R)-1-methyl-2-phenyl-ethyl...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m1/s1
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Article
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5.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)


Article DOI: 10.1021/jm00034a020
BindingDB Entry DOI: 10.7270/Q29P30QV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


J Med Chem 34: 1094-8 (1991)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(RAT)
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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16n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor was determined in rat cerebral homogenate using [3H]haloperidol as radioligand


J Med Chem 34: 1094-8 (1991)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50041276
PNG
(CHEMBL20302 | Methyl-((S)-1-methyl-2-phenyl-ethyl)...)
Show SMILES C[C@@H](Cc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C18H23N/c1-16(15-18-11-7-4-8-12-18)19(2)14-13-17-9-5-3-6-10-17/h3-12,16H,13-15H2,1-2H3/t16-/m0/s1
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16.4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity against sigma-1 receptor of guinea pig brain membranes using [3H]-pentazocine as radioligand


J Med Chem 37: 1214-9 (1994)


Article DOI: 10.1021/jm00034a020
BindingDB Entry DOI: 10.7270/Q29P30QV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50368223
PNG
(Adiparthrol | Apetinil | ETILAMFETAMINE | Ethylamp...)
Show SMILES CCN[C@H](C)Cc1ccccc1
Show InChI InChI=1S/C11H17N/c1-3-12-10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-/m1/s1
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660n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


J Med Chem 34: 1094-8 (1991)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
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Article
PubMed
n/an/a 6.73E+4n/an/an/an/a7.4n/a



Quaid-i-Azam University



Assay Description
The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...


Bioorg Chem 70: 17-26 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.004
BindingDB Entry DOI: 10.7270/Q2WM1C7Z
More data for this
Ligand-Target Pair
Integrin alpha-4


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
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PCBioAssay
n/an/an/an/a 1.00E+5n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
Assay Support: 1 X01 MH077638-01 MLSCN Assay for Allosteric Ligands for the VLA-4 Integrin PI: SKLAR, LARRY A University of New Mexico Assay Overview...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H130FK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
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PubMed
n/an/a 6.73E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...


Eur J Med Chem 108: 542-52 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.026
BindingDB Entry DOI: 10.7270/Q2GX4DFK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
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n/an/a 19n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...


Eur J Med Chem 108: 542-52 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.026
BindingDB Entry DOI: 10.7270/Q2GX4DFK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50355806
PNG
(CHEMBL1911926)
Show SMILES C[C@H](Cc1ccccc1)N(CCF)CC#C
Show InChI InChI=1S/C14H18FN/c1-3-10-16(11-9-15)13(2)12-14-7-5-4-6-8-14/h1,4-8,13H,9-12H2,2H3/t13-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay


J Med Chem 54: 7023-9 (2011)


Article DOI: 10.1021/jm200710b
BindingDB Entry DOI: 10.7270/Q2765FQJ
More data for this
Ligand-Target Pair
tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
PDB
MMDB

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KEGG

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PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN MLSCN Grant: 1 X01MH78953-01 The 14-3-3 pr...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2V986FT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM39862
PNG
(Deprenyl | METHYL-(1-METHYL-2-PHENYL-ETHYL)-PROP-2...)
Show SMILES CC(Cc1ccccc1)N(C)CC#C
Show InChI InChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
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PubMed
n/an/a 19.6n/an/an/an/a7.4n/a



Quaid-i-Azam University



Assay Description
The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...


Bioorg Chem 70: 17-26 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.004
BindingDB Entry DOI: 10.7270/Q2WM1C7Z
More data for this
Ligand-Target Pair