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4 similar compounds to monomer 50262788

Compile data set for download or QSAR
Wt: 369.4
BDBM50263258
Wt: 383.5
BDBM50262578
Wt: 417.9
BDBM50262746
Wt: 425.5
BDBM50262790

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50263258,50262578,50262746,50262790   
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))
BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
KEGG

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UniChem

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Article
PubMed
0.520n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262578
PNG
(2-[[3-[4-(2-Methoxyphenyl)-1-piperazinyl]propyl]th...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-25-20-10-5-3-8-18(20)24-14-12-23(13-15-24)11-6-16-27-21-22-17-7-2-4-9-19(17)26-21/h2-5,7-10H,6,11-16H2,1H3
KEGG

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PubMed
0.550n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262746
PNG
(5-Chloro-2-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]...)
Show SMILES COc1ccccc1N1CCN(CCCSc2nc3cc(Cl)ccc3o2)CC1
Show InChI InChI=1S/C21H24ClN3O2S/c1-26-20-6-3-2-5-18(20)25-12-10-24(11-13-25)9-4-14-28-21-23-17-15-16(22)7-8-19(17)27-21/h2-3,5-8,15H,4,9-14H2,1H3
KEGG

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0.880n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus assessed as inhibition of 5-hydroxytryptamine-induced increase in [35S]GTP...


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
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KEGG

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Article
PubMed
46.6n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat brain striatum


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263258
PNG
(2-[[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-24-19-9-5-3-7-17(19)23-12-10-22(11-13-23)14-15-26-20-21-16-6-2-4-8-18(16)25-20/h2-9H,10-15H2,1H3
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Article
PubMed
67.2n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
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207n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat brain cortex


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair
DOPAMINE


(RAT)
BDBM50262790
PNG
(2-[[6-[4-(2-Methoxyphenyl)-1-piperazinyl]hexyl]thi...)
Show SMILES COc1ccccc1N1CCN(CCCCCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H31N3O2S/c1-28-23-13-7-5-11-21(23)27-17-15-26(16-18-27)14-8-2-3-9-19-30-24-25-20-10-4-6-12-22(20)29-24/h4-7,10-13H,2-3,8-9,14-19H2,1H3
UniProtKB/SwissProt

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922n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat brain striatum


J Med Chem 51: 4529-38 (2008)


Article DOI: 10.1021/jm800176x
BindingDB Entry DOI: 10.7270/Q2Q81CWG
More data for this
Ligand-Target Pair