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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50272596'   
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


(Rattus norvegicus)
BDBM50272596
PNG
(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
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n/an/a 0.470n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50272596
PNG
(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 17n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...


Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair