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BDBM50171884 4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy}-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-ene-3,5-dione::CHEMBL189384

SMILES: COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1

InChI Key: InChIKey=QCWCXCPPQKWURU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50171884   
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))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.0210n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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UniChem

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Article
PubMed
>1.00E+5n/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 D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
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Article
PubMed
>1.00E+5n/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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
>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
DOPAMINE


(RAT)
BDBM50171884
PNG
(4-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propoxy...)
Show SMILES COc1ccccc1N1CCN(CCCON2C(=O)C3C4CC(C=C4)C3C2=O)CC1
Show InChI InChI=1S/C23H29N3O4/c1-29-19-6-3-2-5-18(19)25-12-10-24(11-13-25)9-4-14-30-26-22(27)20-16-7-8-17(15-16)21(20)23(26)28/h2-3,5-8,16-17,20-21H,4,9-15H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/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