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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50249130'   
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))
BDBM50249130
PNG
((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-eth...)
Show SMILES CCOc1nc(ncc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23/h3-11,16,18H,2,12-15H2,1H3,(H,27,28)
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n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...


Bioorg Med Chem Lett 19: 2206-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.126
BindingDB Entry DOI: 10.7270/Q20Z735D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50249130
PNG
((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-eth...)
Show SMILES CCOc1nc(ncc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1)-c1ccccc1
Show InChI InChI=1S/C25H25N5O2/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23/h3-11,16,18H,2,12-15H2,1H3,(H,27,28)
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KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 910n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceutical

Curated by ChEMBL


Assay Description
Antagonist activity at 5-HT2B receptor (unknown origin) expressed in CHOK1 cells assessed as inhibition of serotonin-induced intracellular Ca2+ flux ...


Bioorg Med Chem Lett 19: 2206-10 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.126
BindingDB Entry DOI: 10.7270/Q20Z735D
More data for this
Ligand-Target Pair