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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 = 'BDBM50308104'   
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))		BDBM50308104
PNG
(CHEMBL590552 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...)
Show SMILES COCCN1CCN(CC(=O)Nc2cccc(Cn3c4ccc(OCC#C)cc4c(nc3=O)-c3ccc(cc3)C(C)C)c2)CC1
Show InChI InChI=1S/C36H41N5O4/c1-5-20-45-31-13-14-33-32(23-31)35(29-11-9-28(10-12-29)26(2)3)38-36(43)41(33)24-27-7-6-8-30(22-27)37-34(42)25-40-17-15-39(16-18-40)19-21-44-4/h1,6-14,22-23,26H,15-21,24-25H2,2-4H3,(H,37,42)
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair