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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 = 'BDBM50249459'   
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))
BDBM50249459
PNG
((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(5-phe...)
Show SMILES O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27)
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n/an/a 12n/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))
BDBM50249459
PNG
((4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(5-phe...)
Show SMILES O=C(N1CCC(CC1)c1nc2ccccc2[nH]1)c1ccc(cn1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O/c29-24(22-11-10-19(16-25-22)17-6-2-1-3-7-17)28-14-12-18(13-15-28)23-26-20-8-4-5-9-21(20)27-23/h1-11,16,18H,12-15H2,(H,26,27)
PDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.40E+3n/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