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PubMed code 20472433

Compile data set for download or QSAR
Found 37 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))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320018
PNG
((2R)-1-(cyclopropyl(2-methoxyphenyl)methoxy)-3-(2-...)
Show SMILES COc1ccccc1C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO3/c1-28(2,17-20-12-13-21-8-4-5-9-23(21)16-20)29-18-24(30)19-32-27(22-14-15-22)25-10-6-7-11-26(25)31-3/h4-13,16,22,24,27,29-30H,14-15,17-19H2,1-3H3/t24-,27?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320011
PNG
((2R)-1-(cyclopropyl(phenyl)methoxy)-3-(2-methyl-1-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CC1)c1ccccc1 |r|
Show InChI InChI=1S/C27H33NO2/c1-27(2,17-20-12-13-21-8-6-7-11-24(21)16-20)28-18-25(29)19-30-26(23-14-15-23)22-9-4-3-5-10-22/h3-13,16,23,25-26,28-29H,14-15,17-19H2,1-2H3/t25-,26?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320012
PNG
((2R)-1-(cyclobutyl(phenyl)methoxy)-3-(2-methyl-1-(...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCC1)c1ccccc1 |r|
Show InChI InChI=1S/C28H35NO2/c1-28(2,18-21-15-16-22-9-6-7-12-25(22)17-21)29-19-26(30)20-31-27(24-13-8-14-24)23-10-4-3-5-11-23/h3-7,9-12,15-17,24,26-27,29-30H,8,13-14,18-20H2,1-2H3/t26-,27?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320019
PNG
((R)-1-((S)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27+/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319998
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-4-25(22-11-6-5-7-12-22)29-19-24(28)18-27-26(2,3)17-20-14-15-21-10-8-9-13-23(21)16-20/h5-16,24-25,27-28H,4,17-19H2,1-3H3/t24-,25?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320008
PNG
((2R)-1-(1-(2-methoxyphenyl)ethoxy)-3-(2-methyl-1-(...)
Show SMILES COc1ccccc1C(C)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H33NO3/c1-19(24-11-7-8-12-25(24)29-4)30-18-23(28)17-27-26(2,3)16-20-13-14-21-9-5-6-10-22(21)15-20/h5-15,19,23,27-28H,16-18H2,1-4H3/t19?,23-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320007
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-19-9-12-22(13-10-19)20(2)29-18-25(28)17-27-26(3,4)16-21-11-14-23-7-5-6-8-24(23)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
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Central Pharmaceutical Research Institute

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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320003
PNG
((2R)-1-(1-(2-chlorophenyl)ethoxy)-3-(2-methyl-1-(n...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H30ClNO2/c1-18(23-10-6-7-11-24(23)26)29-17-22(28)16-27-25(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,27-28H,15-17H2,1-3H3/t18?,22-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320000
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35NO2/c1-4-10-26(23-12-6-5-7-13-23)30-20-25(29)19-28-27(2,3)18-21-15-16-22-11-8-9-14-24(22)17-21/h5-9,11-17,25-26,28-29H,4,10,18-20H2,1-3H3/t25-,26?/m1/s1
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Central Pharmaceutical Research Institute

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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320017
PNG
(2-(1-((R)-2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C#N |r|
Show InChI InChI=1S/C26H30N2O2/c1-19(25-11-7-6-10-23(25)16-27)30-18-24(29)17-28-26(2,3)15-20-12-13-21-8-4-5-9-22(21)14-20/h4-14,19,24,28-29H,15,17-18H2,1-3H3/t19?,24-/m1/s1
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Central Pharmaceutical Research Institute

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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320006
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(C)c1 |r|
Show InChI InChI=1S/C26H33NO2/c1-19-8-7-11-23(14-19)20(2)29-18-25(28)17-27-26(3,4)16-21-12-13-22-9-5-6-10-24(22)15-21/h5-15,20,25,27-28H,16-18H2,1-4H3/t20?,25-/m1/s1
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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320002
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CCCCC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C28H37NO2/c1-4-5-15-27(24-12-7-6-8-13-24)31-21-26(30)20-29-28(2,3)19-22-16-17-23-11-9-10-14-25(23)18-22/h6-14,16-18,26-27,29-30H,4-5,15,19-21H2,1-3H3/t26-,27?/m1/s1
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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320001
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(C)C(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35NO2/c1-20(2)26(23-11-6-5-7-12-23)30-19-25(29)18-28-27(3,4)17-21-14-15-22-10-8-9-13-24(22)16-21/h5-16,20,25-26,28-29H,17-19H2,1-4H3/t25-,26?/m1/s1
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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320013
PNG
((2R)-1-(cyclopentyl(phenyl)methoxy)-3-(2-methyl-1-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C29H37NO2/c1-29(2,19-22-16-17-23-10-6-9-15-26(23)18-22)30-20-27(31)21-32-28(25-13-7-8-14-25)24-11-4-3-5-12-24/h3-6,9-12,15-18,25,27-28,30-31H,7-8,13-14,19-21H2,1-2H3/t27-,28?/m1/s1
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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320005
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1C |r|
Show InChI InChI=1S/C26H33NO2/c1-19-9-5-8-12-25(19)20(2)29-18-24(28)17-27-26(3,4)16-21-13-14-22-10-6-7-11-23(22)15-21/h5-15,20,24,27-28H,16-18H2,1-4H3/t20?,24-/m1/s1
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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319999
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C=C)c1ccccc1 |r|
Show InChI InChI=1S/C26H31NO2/c1-4-25(22-11-6-5-7-12-22)29-19-24(28)18-27-26(2,3)17-20-14-15-21-10-8-9-13-23(21)16-20/h4-16,24-25,27-28H,1,17-19H2,2-3H3/t24-,25?/m1/s1
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Central Pharmaceutical Research Institute

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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319990
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31NO2/c1-19(21-9-5-4-6-10-21)28-18-24(27)17-26-25(2,3)16-20-13-14-22-11-7-8-12-23(22)15-20/h4-15,19,24,26-27H,16-18H2,1-3H3/t19?,24-/m1/s1
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Central Pharmaceutical Research Institute

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Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320004
PNG
((2R)-1-(1-(3-chlorophenyl)ethoxy)-3-(2-methyl-1-(n...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C25H30ClNO2/c1-18(21-9-6-10-23(26)14-21)29-17-24(28)16-27-25(2,3)15-19-11-12-20-7-4-5-8-22(20)13-19/h4-14,18,24,27-28H,15-17H2,1-3H3/t18?,24-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319994
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(CCOC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H35NO2/c1-21(23-9-5-4-6-10-23)15-16-30-20-26(29)19-28-27(2,3)18-22-13-14-24-11-7-8-12-25(24)17-22/h4-14,17,21,26,28-29H,15-16,18-20H2,1-3H3/t21?,26-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320020
PNG
((S)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27+/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319997
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C29H33NO2/c1-21(27-14-8-12-24-10-6-7-13-28(24)27)32-20-26(31)19-30-29(2,3)18-22-15-16-23-9-4-5-11-25(23)17-22/h4-17,21,26,30-31H,18-20H2,1-3H3/t21?,26-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319995
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-18(23-10-6-7-13-25-23)28-17-22(27)16-26-24(2,3)15-19-11-12-20-8-4-5-9-21(20)14-19/h4-14,18,22,26-27H,15-17H2,1-3H3/t18?,22-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319992
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(Cc1ccccc1)OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C26H33NO2/c1-20(15-21-9-5-4-6-10-21)29-19-25(28)18-27-26(2,3)17-22-13-14-23-11-7-8-12-24(23)16-22/h4-14,16,20,25,27-28H,15,17-19H2,1-3H3/t20?,25-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50320009
PNG
((R)-1-((R)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320016
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1[N+]([O-])=O |r|
Show InChI InChI=1S/C25H30N2O4/c1-18(23-10-6-7-11-24(23)27(29)30)31-17-22(28)16-26-25(2,3)15-19-12-13-20-8-4-5-9-21(20)14-19/h4-14,18,22,26,28H,15-17H2,1-3H3/t18?,22-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319996
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C29H33NO2/c1-21(25-15-14-24-9-5-7-11-27(24)17-25)32-20-28(31)19-30-29(2,3)18-22-12-13-23-8-4-6-10-26(23)16-22/h4-17,21,28,30-31H,18-20H2,1-3H3/t21?,28-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319989
PNG
((R)-1-(benzyloxy)-3-(2-methyl-1-(naphthalen-2-yl)p...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COCc1ccccc1 |r|
Show InChI InChI=1S/C24H29NO2/c1-24(2,15-20-12-13-21-10-6-7-11-22(21)14-20)25-16-23(26)18-27-17-19-8-4-3-5-9-19/h3-14,23,25-26H,15-18H2,1-2H3/t23-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320010
PNG
((2R)-1-(2,2-dimethyl-1-phenylpropoxy)-3-(2-methyl-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)C(C)(C)C |r|
Show InChI InChI=1S/C28H37NO2/c1-27(2,3)26(23-12-7-6-8-13-23)31-20-25(30)19-29-28(4,5)18-21-15-16-22-11-9-10-14-24(22)17-21/h6-17,25-26,29-30H,18-20H2,1-5H3/t25-,26?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320014
PNG
((2R)-1-(cyclohexyl(phenyl)methoxy)-3-(2-methyl-1-(...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C1CCCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C30H39NO2/c1-30(2,20-23-17-18-24-11-9-10-16-27(24)19-23)31-21-28(32)22-33-29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3,5-6,9-13,16-19,26,28-29,31-32H,4,7-8,14-15,20-22H2,1-2H3/t28-,29?/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320015
PNG
((R)-1-(benzhydryloxy)-3-(2-methyl-1-(naphthalen-2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C30H33NO2/c1-30(2,20-23-17-18-24-11-9-10-16-27(24)19-23)31-21-28(32)22-33-29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-19,28-29,31-32H,20-22H2,1-2H3/t28-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50320021
PNG
((S)-1-((S)-cyclopropyl(o-tolyl)methoxy)-3-(2-methy...)
Show SMILES Cc1ccccc1[C@@H](OC[C@@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)C1CC1 |r|
Show InChI InChI=1S/C28H35NO2/c1-20-8-4-7-11-26(20)27(23-14-15-23)31-19-25(30)18-29-28(2,3)17-21-12-13-22-9-5-6-10-24(22)16-21/h4-13,16,23,25,27,29-30H,14-15,17-19H2,1-3H3/t25-,27-/m0/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319993
PNG
((2R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylami...)
Show SMILES CC(COC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-20(22-9-5-4-6-10-22)18-29-19-25(28)17-27-26(2,3)16-21-13-14-23-11-7-8-12-24(23)15-21/h4-15,20,25,27-28H,16-19H2,1-3H3/t20?,25-/m1/s1
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319991
PNG
((R)-1-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamin...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(C)(C)c1ccccc1 |r|
Show InChI InChI=1S/C26H33NO2/c1-25(2,17-20-14-15-21-10-8-9-11-22(21)16-20)27-18-24(28)19-29-26(3,4)23-12-6-5-7-13-23/h5-16,24,27-28H,17-19H2,1-4H3/t24-/m1/s1
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n/an/a 2.24E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50319988
PNG
((R)-2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)propa...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C24H27NO3/c1-24(2,15-18-12-13-19-8-6-7-11-21(19)14-18)25-16-22(26)17-28-23(27)20-9-4-3-5-10-20/h3-14,22,25-26H,15-17H2,1-2H3/t22-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in rat PC12 cells transfected with zif promoter/luciferase by reporter gene assay


Bioorg Med Chem Lett 20: 3809-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%