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BDBM50312770 (4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-4-yl)methanone::CHEMBL1076586

SMILES: O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=APHXKHUFVKITGC-UHFFFAOYSA-N

Data: 12 KI  1 IC50

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 13 hits for monomerid = 50312770   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of histamine H2 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D3 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2A (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of 5HT2C (receptor)


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M3 receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of alpha2A adrenergic receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 rceptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50312770
PNG
((4-(1H-indole-6-carbonyl)piperazin-1-yl)(biphenyl-...)
Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc2cc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHSR expressed in CHOK1 cells assessed as inhibition of ghrelin-induced intracellular calcium flux by aequorin flash lum...


Bioorg Med Chem Lett 20: 1758-62 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.043
BindingDB Entry DOI: 10.7270/Q2WM1DJD
More data for this
Ligand-Target Pair