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PubMed code 20727747

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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))
BDBM50416880
PNG
(CHEMBL1256366)
Show SMILES Cc1cc(ccc1F)C(C)(O)c1nc2ccccc2s1
Show InChI InChI=1S/C16H14FNOS/c1-10-9-11(7-8-12(10)17)16(2,19)15-18-13-5-3-4-6-14(13)20-15/h3-9,19H,1-2H3
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n/an/an/an/a 158n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416887
PNG
(CHEMBL1256330)
Show SMILES COc1ccccc1C(C)(O)c1nc2ccccc2s1
Show InChI InChI=1S/C16H15NO2S/c1-16(18,11-7-3-5-9-13(11)19-2)15-17-12-8-4-6-10-14(12)20-15/h3-10,18H,1-2H3
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n/an/an/an/a 3.98E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416875
PNG
(AMG-073 | AMG073 HCL | CINACALCET | CINACALCET HYD...)
Show SMILES C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1
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n/an/an/an/a 19.9n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416886
PNG
(CHEMBL1256486)
Show SMILES CC(c1nc2ccccc2s1)c1ccc(C)cc1C
Show InChI InChI=1S/C17H17NS/c1-11-8-9-14(12(2)10-11)13(3)17-18-15-6-4-5-7-16(15)19-17/h4-10,13H,1-3H3
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n/an/an/an/a 2.51E+3n/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
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
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416881
PNG
(CHEMBL1258389)
Show SMILES Cc1ccc(c(C)c1)C(O)(C1CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C19H19NOS/c1-12-7-10-15(13(2)11-12)19(21,14-8-9-14)18-20-16-5-3-4-6-17(16)22-18/h3-7,10-11,14,21H,8-9H2,1-2H3
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n/an/an/an/a 200n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416878
PNG
(CHEMBL1256404)
Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H11Cl2NOS/c1-15(19,10-7-6-9(16)8-11(10)17)14-18-12-4-2-3-5-13(12)20-14/h2-8,19H,1H3
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n/an/an/an/a 100n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416884
PNG
(CHEMBL1256301)
Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNOS/c1-15(18,10-6-8-11(16)9-7-10)14-17-12-4-2-3-5-13(12)19-14/h2-9,18H,1H3
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n/an/an/an/a 398n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416885
PNG
(CHEMBL1258390)
Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc2ccccc2c1
Show InChI InChI=1S/C19H15NOS/c1-19(21,18-20-16-8-4-5-9-17(16)22-18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12,21H,1H3
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n/an/an/an/a 631n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416877
PNG
(CHEMBL1256402)
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-/m1/s1
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n/an/an/an/a 79.4n/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
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
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416876
PNG
(CHEMBL1256403)
Show SMILES Cc1cc(Cl)ccc1C(C)(O)c1nc2ccccc2s1
Show InChI InChI=1S/C16H14ClNOS/c1-10-9-11(17)7-8-12(10)16(2,19)15-18-13-5-3-4-6-14(13)20-15/h3-9,19H,1-2H3
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n/an/an/an/a 31.6n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416879
PNG
(CHEMBL1256303)
Show SMILES CC(O)(c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2NOS/c1-15(19,9-6-7-10(16)11(17)8-9)14-18-12-4-2-3-5-13(12)20-14/h2-8,19H,1H3
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n/an/an/an/a 100n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416882
PNG
(CHEMBL1256331)
Show SMILES Cc1ccccc1C(C)(O)c1nc2ccccc2s1
Show InChI InChI=1S/C16H15NOS/c1-11-7-3-4-8-12(11)16(2,18)15-17-13-9-5-6-10-14(13)19-15/h3-10,18H,1-2H3
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n/an/an/an/a 251n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50416883
PNG
(CHEMBL1255602)
Show SMILES Cc1cc(C)c2CCCC(O)(c3nc4ccccc4s3)c2c1
Show InChI InChI=1S/C19H19NOS/c1-12-10-13(2)14-6-5-9-19(21,15(14)11-12)18-20-16-7-3-4-8-17(16)22-18/h3-4,7-8,10-11,21H,5-6,9H2,1-2H3
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n/an/an/an/a 316n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%