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BDBM50099895 3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine::CHEMBL287671

SMILES: C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12

InChI Key: InChIKey=KGZWRXWYLPRJCF-UHFFFAOYSA-N

Data: 23 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 23 hits for monomerid = 50099895   
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
Dopamine receptor


(RAT)
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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PubMed
148n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity to rat Dopamine receptor D4 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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1.93E+3n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned human 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to cloned rat Dopamine receptor D1 measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Muscarinic acetylcholine receptor M5


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to human 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Dopamine D1B


(RAT)
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to cloned rat D5 receptor measured by displacement of radioligand [3H]-SCH-23,982


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to cloned rat Dopamine receptor D3 measured by displacement of the radioligand [3H]-sulpiride


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to human 5-hydroxytryptamine 6 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned human 5-hydroxytryptamine 1E receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Histamine H1 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned human 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 5A


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned human 5-hydroxytryptamine 5A receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity of the compound to cloned Opioid receptor kappa 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Muscarinic acetylcholine receptor M4


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Muscarinic acetylcholine receptor M1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Opioid receptor mu 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to rat Dopamine receptor D2 measured by displacement of the radioligand [3H]-spiperone


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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 to human 5-hydroxytryptamine 7 receptor


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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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
Binding affinity to cloned Opioid receptor delta 1


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50099895
PNG
(3-(4-Biphenyl-4-yl-piperazin-1-ylmethyl)-1H-pyrrol...)
Show SMILES C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12
Show InChI InChI=1S/C24H24N4/c1-2-5-19(6-3-1)20-8-10-22(11-9-20)28-15-13-27(14-16-28)18-21-17-26-24-23(21)7-4-12-25-24/h1-12,17H,13-16,18H2,(H,25,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to cloned Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 11: 1375-7 (2001)


BindingDB Entry DOI: 10.7270/Q28C9VHC
More data for this
Ligand-Target Pair