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1 similar compounds to monomer 50440611

Compile data set for download or QSAR
Wt: 354.4
BDBM50007525
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50007525   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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Article
PubMed
0.630n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue


J Med Chem 36: 3707-20 (1994)


Article DOI: 10.1021/jm00075a028
BindingDB Entry DOI: 10.7270/Q2MK6DH1
More data for this
Ligand-Target Pair
GABA transporter 1


(Homo sapiens (Human))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens (Human))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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n/an/a 9.12E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human BGT1/human GAT3 chimera C expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counti...


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
GABA transporter 3


(Homo sapiens (Human))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
GABA transporter 2


(Homo sapiens (Human))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human GAT2 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



Astra Research Centre AB

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to rat striatal dopamine receptor D2 was determined in vitro


J Med Chem 34: 948-55 (1991)


Article DOI: 10.1021/jm00107a012
BindingDB Entry DOI: 10.7270/Q2GT5NS9
More data for this
Ligand-Target Pair
Betaine transporter


(Homo sapiens (Human))
BDBM50007525
PNG
(CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dim...)
Show SMILES COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Show InChI InChI=1S/C21H26N2O3/c1-25-19-10-6-9-18(20(19)26-2)21(24)22-17-11-13-23(14-12-17)15-16-7-4-3-5-8-16/h3-10,17H,11-15H2,1-2H3,(H,22,24)
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Article
PubMed
n/an/a 9.10E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human BGT1 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method


J Med Chem 60: 8834-8846 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00924
BindingDB Entry DOI: 10.7270/Q2M61NN1
More data for this
Ligand-Target Pair