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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 = 'BDBM50325736'   
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


(Homo sapiens (Human))
BDBM50325736
PNG
((R)-1-(3-fluorophenyl)-N-((6-methoxy-4'-(trifluoro...)
Show SMILES COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in absence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.060
BindingDB Entry DOI: 10.7270/Q2Z89CM3
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))
BDBM50325736
PNG
((R)-1-(3-fluorophenyl)-N-((6-methoxy-4'-(trifluoro...)
Show SMILES COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.060
BindingDB Entry DOI: 10.7270/Q2Z89CM3
More data for this
Ligand-Target Pair