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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 = 'BDBM50145624'   
Target
(Institution)
LigandTarget
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))
BDBM50145624
PNG
(CHEMBL3764539)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
0.156n/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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145624
PNG
(CHEMBL3764539)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
0.820n/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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50145624
PNG
(CHEMBL3764539)
Show SMILES Clc1cccc(c1)N1CCN(CCNC(=O)c2ccncc2)CC1
Show InChI InChI=1S/C18H21ClN4O/c19-16-2-1-3-17(14-16)23-12-10-22(11-13-23)9-8-21-18(24)15-4-6-20-7-5-15/h1-7,14H,8-13H2,(H,21,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
36n/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)

More data for this
Ligand-Target Pair