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SMILES: CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=BAUAQZIPWDODEP-JOCHJYFZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50339741   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339741
PNG
((5R)-N-[1-(3,4-Dimethoxyphenyl)-1-ethylpropyl]-2,7...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C29H38N4O3/c1-8-29(9-2,21-15-16-23(35-6)24(17-21)36-7)31-27(34)25-19(3)32-33-26(25)30-22(18-28(33,4)5)20-13-11-10-12-14-20/h10-17,22,30H,8-9,18H2,1-7H3,(H,31,34)/t22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair