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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 = 'BDBM50321862'   
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))
BDBM50321862
PNG
(5-Bromo-2,3-dihydro-indole-1-carboxylic acid [6-(2...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Show InChI InChI=1S/C20H17BrN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
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PC sid
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Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321862
PNG
(5-Bromo-2,3-dihydro-indole-1-carboxylic acid [6-(2...)
Show SMILES Cc1ncccc1Oc1ccc(NC(=O)N2CCc3cc(Br)ccc23)cn1
Show InChI InChI=1S/C20H17BrN4O2/c1-13-18(3-2-9-22-13)27-19-7-5-16(12-23-19)24-20(26)25-10-8-14-11-15(21)4-6-17(14)25/h2-7,9,11-12H,8,10H2,1H3,(H,24,26)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.20n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 cells by displacement of [3H]mesulergine


Bioorg Med Chem Lett 10: 1863-6 (2000)


BindingDB Entry DOI: 10.7270/Q2X63Q4P
More data for this
Ligand-Target Pair