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BDBM50024205 3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one::3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-2-methyl-pyrido[1,2-a]pyrimidin-4-one(Pirenperone)::CHEMBL18331::PIRENPERONE

SMILES: Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=HXCNRYXBZNHDNE-UHFFFAOYSA-N

Data: 17 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 17 hits for monomerid = 50024205   
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
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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0.300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to rat cortical membranes at 5-hydroxytryptamine 2 receptor binding site by using [3H]- KET as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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1n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 2 receptor in rat frontal cortical membranes by [3H]- KET displacement.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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1.08n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 720-7 (1996)


BindingDB Entry DOI: 10.7270/Q29W0D1S
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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4.5n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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6.45n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Br J Pharmacol 122: 126-32 (1997)


Article DOI: 10.1038/sj.bjp.0701336
BindingDB Entry DOI: 10.7270/Q2VD6X1D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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7.90n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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18n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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18.2n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 107-16 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16327.x
BindingDB Entry DOI: 10.7270/Q2610XTR
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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20n/an/an/an/an/an/an/an/a



Janssen Pharmaceutica NV

Curated by PDSP Ki Database




Eur J Pharmacol 129: 49-55 (1986)


Article DOI: 10.1016/0014-2999(86)90335-3
BindingDB Entry DOI: 10.7270/Q27S7M8D
More data for this
Ligand-Target Pair
HTR7


(GUINEA PIG)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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52.5n/an/an/an/an/an/an/an/a



Syntex Discovery Research

Curated by PDSP Ki Database




Br J Pharmacol 115: 107-16 (1995)


Article DOI: 10.1111/j.1476-5381.1995.tb16327.x
BindingDB Entry DOI: 10.7270/Q2610XTR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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61n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 720-7 (1996)


BindingDB Entry DOI: 10.7270/Q29W0D1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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77n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 720-7 (1996)


BindingDB Entry DOI: 10.7270/Q29W0D1S
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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598n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by PDSP Ki Database




J Pharmacol Exp Ther 276: 720-7 (1996)


BindingDB Entry DOI: 10.7270/Q29W0D1S
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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1.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a ra...


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50024205
PNG
(3-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H24FN3O2/c1-16-20(23(29)27-12-3-2-4-21(27)25-16)11-15-26-13-9-18(10-14-26)22(28)17-5-7-19(24)8-6-17/h2-8,12,18H,9-11,13-15H2,1H3
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6.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair