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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 = 'BDBM50432140'   
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))
BDBM50432140
PNG
(CHEMBL2349582)
Show SMILES CC(OC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1)C(C)(C)C
Show InChI InChI=1S/C35H45N3O4/c1-27(35(2,3)4)42-33(39)30-16-11-17-31(26-30)36-34(40)38(21-20-37-22-24-41-25-23-37)19-18-32(28-12-7-5-8-13-28)29-14-9-6-10-15-29/h5-17,26-27,32H,18-25H2,1-4H3,(H,36,40)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+3n/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