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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcium-sensing receptor (CaSR)' and Ligand = 'BDBM50416874'   
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))
BDBM50416874
PNG
(CHEMBL1256368)
Show SMILES Cc1ccc(c(C)c1)[C@](C)(O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3/t17-/m0/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25.1n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by cell based assay


Bioorg Med Chem Lett 20: 5918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.077
BindingDB Entry DOI: 10.7270/Q22J6D4S
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416874
PNG
(CHEMBL1256368)
Show SMILES Cc1ccc(c(C)c1)[C@](C)(O)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C17H17NOS/c1-11-8-9-13(12(2)10-11)17(3,19)16-18-14-6-4-5-7-15(14)20-16/h4-10,19H,1-3H3/t17-/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 10n/an/an/an/a



ACADIA Pharmaceuticals AB

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by cell based assay


Bioorg Med Chem Lett 20: 5918-21 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.077
BindingDB Entry DOI: 10.7270/Q22J6D4S
More data for this
Ligand-Target Pair