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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50261696'   
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
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50261696
PNG
(CHEMBL4074358)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NC(CO)(CO)CO)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C27H33N3O4/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)28-22-13-14-30(15-22)23-11-9-21(10-12-23)26(34)29-27(16-31,17-32)18-33/h2-12,19,22,28,31-33H,13-18H2,1H3,(H,29,34)/t19-,22+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Enteroendocrine Discovery Performance Unit and Platform Technologies and Science, GlaxoSmithKline, 5 Moore Drive, Research Triangle Park, NC 27709, United States. Electronic address: ssparks@viamet.c

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair