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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcium-sensing receptor (CaSR)' and Ligand = 'BDBM50432137'   
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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50432137
PNG
(CHEMBL2349585)
Show SMILES FC(F)(F)C(F)(F)CCCOC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
Show InChI InChI=1S/C34H38F5N3O4/c35-33(36,34(37,38)39)16-8-22-46-31(43)28-13-7-14-29(25-28)40-32(44)42(19-18-41-20-23-45-24-21-41)17-15-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-7,9-14,25,30H,8,15-24H2,(H,40,44)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 400n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.078
BindingDB Entry DOI: 10.7270/Q2930VJZ
More data for this
Ligand-Target Pair