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BDBM50171885 4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-propoxy}-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione::CHEMBL191226

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1

InChI Key: InChIKey=HHOJHFKKQUQMQF-UHFFFAOYSA-N

Data: 5 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50171885   
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 (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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PubMed
5.13n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to Serotonin 5-HT1A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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670n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine D2 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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2.60E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 0.4 nM [3H]-ketanserin binding to Serotonin 5-HT2A receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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4.51E+3n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine D1 receptor from rat striatum


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50171885
PNG
(4-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-3-1-4-18(14-17)28-10-8-27(9-11-28)7-2-12-32-29-21(30)19-15-5-6-16(13-15)20(19)22(29)31/h1,3-6,14-16,19-20H,2,7-13H2
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1.00E+5n/an/an/an/an/an/an/an/a



Università di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of 1 nM [3H]-mesulergine binding to Serotonin 5-HT2C receptor from rat brain cortex


J Med Chem 48: 5495-503 (2005)


Article DOI: 10.1021/jm050246k
BindingDB Entry DOI: 10.7270/Q2TM79N5
More data for this
Ligand-Target Pair