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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 = 'BDBM50339321'   
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))		BDBM50339321
PNG
((5S,7R)-5-phenyl-7-(trifluoromethyl)-N-(4-(trifluo...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C22H18F6N4O/c23-21(24,25)15-8-6-13(7-9-15)11-29-20(33)16-12-30-32-18(22(26,27)28)10-17(31-19(16)32)14-4-2-1-3-5-14/h1-9,12,17-18,31H,10-11H2,(H,29,33)/t17-,18+/m0/s1
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Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair