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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50042684   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429354
PNG
(CHEMBL2336280)
Show SMILES CCCN1CCC(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H23NO/c1-3-10-16-11-8-13(9-12-16)14-6-4-5-7-15(14)17-2/h4-7,13H,3,8-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50039783
PNG
(1-(2-Methoxy-phenyl)-4-propyl-piperazine | 1-(2-Me...)
Show SMILES CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17-2/h4-7H,3,8-12H2,1-2H3
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22n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50386540
PNG
(CHEMBL2048226)
Show SMILES CCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-10-15-11-8-14(9-12-15)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
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170n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429357
PNG
(CHEMBL2336285)
Show SMILES CCCN1CCC(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N/c1-2-8-19-9-6-12(7-10-19)13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12H,2,6-10H2,1H3
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180n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429356
PNG
(CHEMBL480434)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3
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270n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429359
PNG
(CHEMBL451149)
Show SMILES CCCN1CCN(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3
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300n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50007402
PNG
(1-Phenyl-4-propyl-piperazine | 1-Phenyl-4-propylpi...)
Show SMILES CCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C13H20N2/c1-2-8-14-9-11-15(12-10-14)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
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470n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429353
PNG
(CHEMBL2336282)
Show SMILES CCCN1CCN(CC1)c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)19(2,17)18/h4-7H,3,8-12H2,1-2H3
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580n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50386541
PNG
(CHEMBL2048227)
Show SMILES CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C14H20ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-6,13H,2,7-11H2,1H3
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900n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429358
PNG
(CHEMBL2336284)
Show SMILES CCCN1CCC(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C15H23NO/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)17-2/h4-6,12-13H,3,7-11H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429354
PNG
(CHEMBL2336280)
Show SMILES CCCN1CCC(CC1)c1ccccc1OC
Show InChI InChI=1S/C15H23NO/c1-3-10-16-11-8-13(9-12-16)14-6-4-5-7-15(14)17-2/h4-7,13H,3,8-12H2,1-2H3
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2.40E+3n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50429355
PNG
(CHEMBL2336289)
Show SMILES CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C19H29NO2S/c1-2-12-20-13-10-16(11-14-20)17-6-5-9-19(15-17)23(21,22)18-7-3-4-8-18/h5-6,9,15-16,18H,2-4,7-8,10-14H2,1H3
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3.80E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50386546
PNG
(CHEMBL449920)
Show SMILES CCCN1CCN(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-4-6-14(17-2)7-5-13/h4-7H,3,8-12H2,1-2H3
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6.40E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429359
PNG
(CHEMBL451149)
Show SMILES CCCN1CCN(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C14H22N2O/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)17-2/h4-6,12H,3,7-11H2,1-2H3
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1.60E+4n/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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429358
PNG
(CHEMBL2336284)
Show SMILES CCCN1CCC(CC1)c1cccc(OC)c1
Show InChI InChI=1S/C15H23NO/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)17-2/h4-6,12-13H,3,7-11H2,1-2H3
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1.80E+4n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50386543
PNG
(CHEMBL2048230)
Show SMILES CCCN1CCC(CC1)c1ccc(OC)cc1
Show InChI InChI=1S/C15H23NO/c1-3-10-16-11-8-14(9-12-16)13-4-6-15(17-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3
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2.30E+4n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2S receptor high affinity site 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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50308027
PNG
(1-[3-(Methylsulfonyl)phenyl]-4-propylpiperazine | ...)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-7-15-8-10-16(11-9-15)13-5-4-6-14(12-13)19(2,17)18/h4-6,12H,3,7-11H2,1-2H3
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1.26E+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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429357
PNG
(CHEMBL2336285)
Show SMILES CCCN1CCC(CC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H20F3N/c1-2-8-19-9-6-12(7-10-19)13-4-3-5-14(11-13)15(16,17)18/h3-5,11-12H,2,6-10H2,1H3
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1.28E+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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429353
PNG
(CHEMBL2336282)
Show SMILES CCCN1CCN(CC1)c1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C14H22N2O2S/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)19(2,17)18/h4-7H,3,8-12H2,1-2H3
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>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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50039783
PNG
(1-(2-Methoxy-phenyl)-4-propyl-piperazine | 1-(2-Me...)
Show SMILES CCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C14H22N2O/c1-3-8-15-9-11-16(12-10-15)13-6-4-5-7-14(13)17-2/h4-7H,3,8-12H2,1-2H3
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>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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429355
PNG
(CHEMBL2336289)
Show SMILES CCCN1CCC(CC1)c1cccc(c1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C19H29NO2S/c1-2-12-20-13-10-16(11-14-20)17-6-5-9-19(15-17)23(21,22)18-7-3-4-8-18/h5-6,9,15-16,18H,2-4,7-8,10-14H2,1H3
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>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
Amine oxidase [flavin-containing] A


(Rattus norvegicus (rat))
BDBM50429356
PNG
(CHEMBL480434)
Show SMILES CCCN1CCN(CC1)c1cccc(c1)C#N
Show InChI InChI=1S/C14H19N3/c1-2-6-16-7-9-17(10-8-16)14-5-3-4-13(11-14)12-15/h3-5,11H,2,6-10H2,1H3
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>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
Amine oxidase [flavin-containing] A


(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

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
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