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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50302555'   
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 2B


(Homo sapiens (Human))
BDBM50302555
PNG
(CHEMBL567993 | N-((cis)-4-(4-(dimethylamino)-5-met...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(C)c2)ncc1C |r,wU:10.13,7.6,(12.45,-21.86,;11.11,-22.63,;9.78,-21.87,;11.12,-24.17,;12.45,-24.94,;12.46,-26.49,;13.79,-27.25,;15.13,-26.48,;16.46,-27.26,;17.79,-26.5,;17.79,-24.95,;16.46,-24.18,;15.12,-24.95,;19.13,-24.19,;20.46,-24.96,;20.46,-26.5,;21.8,-24.19,;21.79,-22.66,;23.12,-21.89,;24.46,-22.66,;24.46,-24.21,;25.79,-24.98,;23.12,-24.97,;11.12,-27.26,;9.79,-26.49,;9.79,-24.94,;8.46,-24.17,)|
Show InChI InChI=1S/C21H29N5O/c1-14-6-5-7-16(12-14)20(27)23-17-8-10-18(11-9-17)24-21-22-13-15(2)19(25-21)26(3)4/h5-7,12-13,17-18H,8-11H2,1-4H3,(H,23,27)(H,22,24,25)/t17-,18+
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Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolsine from human 5HT2B receptor


Bioorg Med Chem Lett 19: 6166-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.003
BindingDB Entry DOI: 10.7270/Q2KK9BVH
More data for this
Ligand-Target Pair