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BDBM50033843 1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine::1-{3-[5-Methoxy-3,4-dihydro-2H-naphthalen-(1E)-ylidene]-propyl}-4-pyridin-2-yl-piperazine::CHEMBL140406

SMILES: COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1

InChI Key: InChIKey=MEJDASWPPCVZOR-UFWORHAWSA-N

Data: 3 KI  3 IC50  2 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 = 50033843   
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))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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0.310n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal membranes


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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0.310n/an/an/an/an/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes assessed as stimulation of [35S]GTPgammaS binding after 20 mins by l...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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125n/an/an/an/an/an/an/an/a



Università Bari

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2 in rat striatal membranes


J Med Chem 44: 4431-42 (2001)


Article DOI: 10.1021/jm010866v
BindingDB Entry DOI: 10.7270/Q2NC60GV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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n/an/a 0.350n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on serotonin 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand.


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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n/an/an/an/a 3.39E+3n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells after 90 mins by beta-arrestin-2 recruitment assay


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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n/an/an/an/a 3n/an/an/an/a



Karolinska Institute and Karolinska University Hospital

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT1A receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation after 15 mins by EL...


Bioorg Med Chem 23: 4824-30 (2015)


Article DOI: 10.1016/j.bmc.2015.05.042
BindingDB Entry DOI: 10.7270/Q21R6S8W
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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n/an/a 150n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on dopamine receptor D2 using [3H]-spiroperidol as radioligand.


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50033843
PNG
(1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-yliden...)
Show SMILES COc1cccc2\C(CCCc12)=C\CCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C23H29N3O/c1-27-22-11-5-9-20-19(7-4-10-21(20)22)8-6-14-25-15-17-26(18-16-25)23-12-2-3-13-24-23/h2-3,5,8-9,11-13H,4,6-7,10,14-18H2,1H3/b19-8+
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n/an/a 99.1n/an/an/an/an/an/a



Università di Bari

Curated by ChEMBL


Assay Description
In vitro binding affinity measured on sigma opioid receptor using [3H]-DTG as radioligand


J Med Chem 38: 942-9 (1995)


Article DOI: 10.1021/jm00006a013
BindingDB Entry DOI: 10.7270/Q2SQ8ZD0
More data for this
Ligand-Target Pair