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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50145591'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145591
PNG
(CHEMBL3765471)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O.ClH/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)31-17-15-30(16-18-31)14-13-29-25(32)21-9-11-28-12-10-21;/h1-12,24H,13-18H2,(H,29,32);1H
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Article
PubMed
0.00956n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145591
PNG
(CHEMBL3765471)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O.ClH/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)31-17-15-30(16-18-31)14-13-29-25(32)21-9-11-28-12-10-21;/h1-12,24H,13-18H2,(H,29,32);1H
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PC sid
UniChem

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Article
PubMed
10n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (Rat))
BDBM50145591
PNG
(CHEMBL3765471)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O.ClH/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)31-17-15-30(16-18-31)14-13-29-25(32)21-9-11-28-12-10-21;/h1-12,24H,13-18H2,(H,29,32);1H
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PC sid
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Article
PubMed
29n/an/an/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysi...


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145591
PNG
(CHEMBL3765471)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O.ClH/c26-22-5-1-19(2-6-22)24(20-3-7-23(27)8-4-20)31-17-15-30(16-18-31)14-13-29-25(32)21-9-11-28-12-10-21;/h1-12,24H,13-18H2,(H,29,32);1H
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Dipartimento di Farmacia Universit£ di Napoli"Federico II"

Curated by ChEMBL


Assay Description
Antagonist activity at 5HT2A receptor in Sprague-Dawley rat ileum assessed as inhibition of 5-HT-induced contraction


Eur J Med Chem 110: 133-50 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.021
BindingDB Entry DOI: 10.7270/Q24X59N9
More data for this
Ligand-Target Pair