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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 = 'BDBM50432115'   
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))
BDBM50432115
PNG
(CHEMBL2349573)
Show SMILES O=C(Nc1cccc(c1)-c1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C35H36N4O2S/c40-35(36-30-15-9-14-29(26-30)34-37-32-16-7-8-17-33(32)42-34)39(21-20-38-22-24-41-25-23-38)19-18-31(27-10-3-1-4-11-27)28-12-5-2-6-13-28/h1-17,26,31H,18-25H2,(H,36,40)
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 150n/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