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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 = 'BDBM50175380'   
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))		BDBM50175380
PNG
((R)-1-((R)-1-(3-nitrobenzyl)pyrrolidin-2-yl)-2-(2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H33N3O3/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)28-18-26(31)25-11-6-14-29(25)19-21-7-5-10-24(16-21)30(32)33/h3-5,7-10,12-13,15-16,25-26,28,31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of intracellular calcium release in human TT cells containing calcium-sensing receptor by FLIPR

Bioorg Med Chem Lett 15: 5478-82 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.095
BindingDB Entry DOI: 10.7270/Q2WS8STX
More data for this
Ligand-Target Pair