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SMILES: N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1

InChI Key: InChIKey=APOXKSCRLNZDPC-UHFFFAOYSA-N

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 7 hits for monomerid = 50403915   
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))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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18n/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


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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510n/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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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720n/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
5-hydroxytryptamine receptor 2A


(PIG)
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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850n/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(1A) dopamine receptor


(BOVINE)
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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1.20E+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))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)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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2.40E+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 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50403915
PNG
(CHEMBL2113718)
Show SMILES N#Cc1cc(CN2CCN(CC2)c2ccccc2)c[nH]1
Show InChI InChI=1S/C16H18N4/c17-11-15-10-14(12-18-15)13-19-6-8-20(9-7-19)16-4-2-1-3-5-16/h1-5,10,12,18H,6-9,13H2
PDB

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3.40E+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 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