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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 = 'BDBM50339340'   
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))		BDBM50339340
PNG
(CHEMBL1688092 | N-{1-Ethyl-1-[4-(2-oxobutoxy)pheny...)
Show SMILES CCC(=O)Oc1ccc(cc1)C(CC)(CC)NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1
Show InChI InChI=1S/C29H36N4O3/c1-6-25(34)36-22-16-14-21(15-17-22)29(7-2,8-3)32-27(35)23-19-30-33-26(23)31-24(18-28(33,4)5)20-12-10-9-11-13-20/h9-17,19,24,31H,6-8,18H2,1-5H3,(H,32,35)
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n/an/a 12n/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