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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 = 'BDBM50175365'   
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))
BDBM50175365
PNG
(2-fluoro-6-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(n...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1O
Show InChI InChI=1S/C27H33FN2O2/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)29-17-25(31)24-11-6-14-30(24)18-22-9-5-10-23(28)26(22)32/h3-5,7-10,12-13,15,24-25,29,31-32H,6,11,14,16-18H2,1-2H3/t24-,25-/m1/s1
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Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of intracellular calcium release in human TT cells containing calcium-sensing receptor by FLIPR


Bioorg Med Chem Lett 15: 5478-82 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.095
BindingDB Entry DOI: 10.7270/Q2WS8STX
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)
BDBM50175365
PNG
(2-fluoro-6-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(n...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1O
Show InChI InChI=1S/C27H33FN2O2/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)29-17-25(31)24-11-6-14-30(24)18-22-9-5-10-23(28)26(22)32/h3-5,7-10,12-13,15,24-25,29,31-32H,6,11,14,16-18H2,1-2H3/t24-,25-/m1/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of extracellular calcium-induced inositol triphosphate generation in rat MTC cells expressing calcium-sensing receptor


Bioorg Med Chem Lett 15: 5478-82 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.095
BindingDB Entry DOI: 10.7270/Q2WS8STX
More data for this
Ligand-Target Pair