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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50327527   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))
BDBM50327527
PNG
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)
Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1
Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3
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Article
PubMed
n/an/a 44n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 20: 5718-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Mus musculus)
BDBM50327527
PNG
(2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...)
Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1
Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3
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Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Kalypsys, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level


Bioorg Med Chem Lett 20: 5718-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.014
BindingDB Entry DOI: 10.7270/Q2N87B1H
More data for this
Ligand-Target Pair