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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50106603'   
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 2A


(Homo sapiens (Human))
BDBM50106603
PNG
(CHEMBL3601047)
Show SMILES CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1
Show InChI InChI=1S/C27H32N4O3/c1-21(32)28-23-15-17-31(18-16-23)20-22-9-12-25(13-10-22)33-19-5-6-24-11-14-27(30-29-24)34-26-7-3-2-4-8-26/h2-4,7-14,23H,5-6,15-20H2,1H3,(H,28,32)
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MMDB

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Similars

Article
PubMed
n/an/a 9.65E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 25: 3270-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.074
BindingDB Entry DOI: 10.7270/Q2MK6FN7
More data for this
Ligand-Target Pair