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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 = 'BDBM50261693'   
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))		BDBM50261693
PNG
(CHEMBL4072950)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(N)(=O)=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H25N3O2S/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-18-13-14-25(15-18)19-9-11-20(12-10-19)28(23,26)27/h2-12,16,18,24H,13-15H2,1H3,(H2,23,26,27)/t16-,18+/m1/s1
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Article
PubMed
n/an/an/an/a 20n/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
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

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