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BDBM50173096 4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide::CHEMBL197408

SMILES: COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1

InChI Key: InChIKey=WJYDVXOBGXFRGI-UHFFFAOYSA-N

Data: 21 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50173096   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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6.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT2C receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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14n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT1B receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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171n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT2A receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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209n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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405n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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1.43E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT6 receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor mu 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Histamine H1 receptor


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D4


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D3


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D5


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Dopamine receptor D2


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Affinity towards cloned Opioid receptor delta 1


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50173096
PNG
(4-Biphenyl-4-yl-piperazine-1-carboxylic acid [4-me...)
Show SMILES COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C29H35N5O2/c1-31-14-16-33(17-15-31)27-22-25(10-13-28(27)36-2)30-29(35)34-20-18-32(19-21-34)26-11-8-24(9-12-26)23-6-4-3-5-7-23/h3-13,22H,14-21H2,1-2H3,(H,30,35)
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human 5-HT7 receptor using [3H]5-carboximidotryptamine as radioligand


Bioorg Med Chem Lett 15: 4786-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.024
BindingDB Entry DOI: 10.7270/Q2NP23ZZ
More data for this
Ligand-Target Pair