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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 = 'BDBM50532824'   
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))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
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250n/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))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
PDB

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250n/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))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 750n/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))
BDBM50532824
PNG
(CHEMBL4538660)
Show SMILES FC(F)(F)c1cccc(Cc2cc3CCNCCc3nn2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-14-10-12-4-6-20-7-5-15(12)22-21-14/h1-3,8,10,20H,4-7,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 750n/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