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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 = 'BDBM50261697'   
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))		BDBM50261697
PNG
(CHEMBL4069946)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NC(=O)CC(O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C25H27N3O5S/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)26-19-13-14-28(16-19)20-9-11-21(12-10-20)34(32,33)27-24(29)15-25(30)31/h2-12,17,19,26H,13-16H2,1H3,(H,27,29)(H,30,31)/t17-,19+/m1/s1
PDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.59E+3n/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