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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 = 'BDBM50145590'   
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))
BDBM50145590
PNG
(CHEMBL3764761)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.658n/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))
BDBM50145590
PNG
(CHEMBL3764761)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.90n/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))
BDBM50145590
PNG
(CHEMBL3764761)
Show SMILES Cl.Clc1ccc(cc1)C(N1CCN(CCNC(=O)c2ccncc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H27ClN4O.ClH/c26-23-8-6-21(7-9-23)24(20-4-2-1-3-5-20)30-18-16-29(17-19-30)15-14-28-25(31)22-10-12-27-13-11-22;/h1-13,24H,14-19H2,(H,28,31);1H
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
55n/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