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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50532831'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
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PC cid
PC sid
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Article
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200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from recombinant human 5-HT2C receptor transfected in Swiss mouse 3T3 cells after 150 mins by scintillation proximit...


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50532831
PNG
(CHEMBL4463588)
Show SMILES Clc1ccccc1Cc1cc2CCNCCc2nn1
Show InChI InChI=1S/C15H16ClN3/c16-14-4-2-1-3-11(14)9-13-10-12-5-7-17-8-6-15(12)19-18-13/h1-4,10,17H,5-9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor transfected in CHOK1 cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 26: 4117-21 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.060
BindingDB Entry DOI: 10.7270/Q2H998P2
More data for this
Ligand-Target Pair