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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50251647'   
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))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
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UniProtKB/SwissProt

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine at human cloned 5HT2C receptor expressed in CHOK1 cell


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50251647
PNG
(1H-indole-3-carboxylic acid[6-(2-chloro-pyridin-3-...)
Show SMILES Clc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
Show InChI InChI=1S/C19H13ClN4O2/c20-18-16(6-3-9-21-18)26-17-8-7-12(10-23-17)24-19(25)14-11-22-15-5-2-1-4-13(14)15/h1-11,22H,(H,24,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 590n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT2C receptor expressed in CHO cell assessed as blockade of 5HT-stimulated [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 3844-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.064
BindingDB Entry DOI: 10.7270/Q2P84BQN
More data for this
Ligand-Target Pair