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BDBM50115715 5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-carbonitrile::CHEMBL56118

SMILES: N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1

InChI Key: InChIKey=IKBANCXZZJPIEB-UHFFFAOYSA-N

Data: 7 KI  1 EC50

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 8 hits for monomerid = 50115715   
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
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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21n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
UniProtKB/SwissProt

antibodypedia
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PC sid
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450n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]8-OH-DPAT radioligand from porcine 5-hydroxytryptamine 1A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
5-HT2


(PIG)
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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610n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]-Ketanserin radioligand from porcine 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
UniProtKB/SwissProt

antibodypedia
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1.80E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D3 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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3.70E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23390 radioligand from cloned human Dopamine receptor D2 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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4.60E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]SCH-23,390 radioligand from bovine Dopamine receptor D1


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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8.00E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50115715
PNG
(5-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrole-3-car...)
Show SMILES N#Cc1c[nH]c(CN2CCN(CC2)c2ccccc2)c1
Show InChI InChI=1S/C16H18N4/c17-11-14-10-15(18-12-14)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
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n/an/an/an/a 5.60n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D4 in CHO cells


Bioorg Med Chem Lett 12: 1937-40 (2002)


BindingDB Entry DOI: 10.7270/Q2T72J0V
More data for this
Ligand-Target Pair