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4 similar compounds to monomer 50106359

Compile data set for download or QSAR
Wt: 192.2
BDBM50001917
Purchase
Wt: 220.3
BDBM50308023
Wt: 470.4
BDBM50106391
Wt: 483.5
BDBM50106387

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50001917,50308023,50106391,50106387   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50308023
PNG
(1-(3-Hydroxyphenyl)-4-propylpiperazine | 3-(4-Prop...)
Show SMILES CCCN1CCN(CC1)c1cccc(O)c1
Show InChI InChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
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Article
PubMed
69n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001917
PNG
(1-(3-Methoxy-phenyl)-piperazine | CHEMBL59597)
Show SMILES COc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
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Article
PubMed
320n/an/an/an/an/an/an/an/a



Solvay Duphar Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-2-(di-N-propylamino)-8-hydroxytetralin from central 5-hydroxytryptamine 1A receptor recognition sites in rat frontal cortex homo...


J Med Chem 38: 1942-54 (1995)


Article DOI: 10.1021/jm00011a014
BindingDB Entry DOI: 10.7270/Q2SN080M
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50308023
PNG
(1-(3-Hydroxyphenyl)-4-propylpiperazine | 3-(4-Prop...)
Show SMILES CCCN1CCN(CC1)c1cccc(O)c1
Show InChI InChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
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721n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at low affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50308023
PNG
(1-(3-Hydroxyphenyl)-4-propylpiperazine | 3-(4-Prop...)
Show SMILES CCCN1CCN(CC1)c1cccc(O)c1
Show InChI InChI=1S/C13H20N2O/c1-2-6-14-7-9-15(10-8-14)12-4-3-5-13(16)11-12/h3-5,11,16H,2,6-10H2,1H3
PDB
MMDB

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PubMed
>5.83E+5n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from rat MAO-A receptor expressed in HEK293 cells


Eur J Med Chem 62: 241-55 (2013)


Article DOI: 10.1016/j.ejmech.2012.12.031
BindingDB Entry DOI: 10.7270/Q27082RH
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106387
PNG
(CHEMBL3596475)
Show SMILES COC(=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F3NO3/c1-34-26(33)22-9-7-21(8-10-22)23-15-20(16-25(17-23)28(29,30)31)18-35-19-27(11-13-32-14-12-27)24-5-3-2-4-6-24/h2-10,15-17,32H,11-14,18-19H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.098
BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50001917
PNG
(1-(3-Methoxy-phenyl)-piperazine | CHEMBL59597)
Show SMILES COc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for Beta-1 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine ventricular...


J Med Chem 35: 743-50 (1992)


Article DOI: 10.1021/jm00082a016
BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Canis familiaris)
BDBM50001917
PNG
(1-(3-Methoxy-phenyl)-piperazine | CHEMBL59597)
Show SMILES COc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Berlex Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor by displacing [3H]dihydroalprenolol, in partially purified membrane fractions from canine lung ti...


J Med Chem 35: 743-50 (1992)


Article DOI: 10.1021/jm00082a016
BindingDB Entry DOI: 10.7270/Q2319TT0
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM50106391
PNG
(CHEMBL3596479)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(COCC2(CCNCC2)c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)23-15-19(14-21(16-23)20-6-8-24(9-7-20)31(32)33)17-34-18-25(10-12-30-13-11-25)22-4-2-1-3-5-22/h1-9,14-16,30H,10-13,17-18H2
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n/an/a 3.80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]-substance P from gerbil NK1 receptor expressed in HEK293 cell membranes incubated for 30 mins by liquid scintillation counting...


Bioorg Med Chem Lett 25: 3039-43 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.098
BindingDB Entry DOI: 10.7270/Q24M9690
More data for this
Ligand-Target Pair