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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50145616'   
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))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.130n/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))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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))
BDBM50145616
PNG
(CHEMBL3763331)
Show SMILES Cl.Fc1ccc(cc1)C(N1CCN(CCCNC(=O)c2ccncc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H28F2N4O.ClH/c27-23-6-2-20(3-7-23)25(21-4-8-24(28)9-5-21)32-18-16-31(17-19-32)15-1-12-30-26(33)22-10-13-29-14-11-22;/h2-11,13-14,25H,1,12,15-19H2,(H,30,33);1H
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/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