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PubMed code 16216508

Compile data set for download or QSAR
Found 44 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))
BDBM50175387
PNG
((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
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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
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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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175382
PNG
((S)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@H](O)COc1cccc(Cl)c1C#N
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-/m0/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175375
PNG
((S)-2-(3-(1-(benzo[b]thiophen-2-yl)-2-methylpropan...)
Show SMILES CC(C)(Cc1cc2ccccc2s1)NC[C@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C22H24N2O2S/c1-22(2,12-19-11-16-7-4-6-10-21(16)27-19)24-14-18(25)15-26-20-9-5-3-8-17(20)13-23/h3-11,18,24-25H,12,14-15H2,1-2H3/t18-/m0/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175360
PNG
((S)-2-(3-(1-(1H-indol-2-yl)-2-methylpropan-2-ylami...)
Show SMILES CC(C)(Cc1cc2ccccc2[nH]1)NC[C@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C22H25N3O2/c1-22(2,12-18-11-16-7-3-5-9-20(16)25-18)24-14-19(26)15-27-21-10-6-4-8-17(21)13-23/h3-11,19,24-26H,12,14-15H2,1-2H3/t19-/m0/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175380
PNG
((R)-1-((R)-1-(3-nitrobenzyl)pyrrolidin-2-yl)-2-(2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C27H33N3O3/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)28-18-26(31)25-11-6-14-29(25)19-21-7-5-10-24(16-21)30(32)33/h3-5,7-10,12-13,15-16,25-26,28,31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(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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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175384
PNG
(2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1O)[N+]([O-])=O
Show InChI InChI=1S/C27H33N3O4/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)28-17-25(31)23-11-6-14-29(23)18-22-9-5-10-24(26(22)32)30(33)34/h3-5,7-10,12-13,15,23,25,28,31-32H,6,11,14,16-18H2,1-2H3/t23-,25-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175354
PNG
((R)-1-((R)-1-(2-nitrobenzyl)pyrrolidin-2-yl)-2-(2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H33N3O3/c1-27(2,17-20-13-14-21-8-3-4-9-22(21)16-20)28-18-26(31)25-12-7-15-29(25)19-23-10-5-6-11-24(23)30(32)33/h3-6,8-11,13-14,16,25-26,28,31H,7,12,15,17-19H2,1-2H3/t25-,26-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175371
PNG
(3-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C28H33N3O/c1-28(2,17-21-12-13-24-9-3-4-10-25(24)16-21)30-19-27(32)26-11-6-14-31(26)20-23-8-5-7-22(15-23)18-29/h3-5,7-10,12-13,15-16,26-27,30,32H,6,11,14,17,19-20H2,1-2H3/t26-,27-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175377
PNG
(2-chloro-6-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(n...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(Cl)c1C#N
Show InChI InChI=1S/C28H32ClN3O/c1-28(2,16-20-12-13-21-7-3-4-8-22(21)15-20)31-18-27(33)26-11-6-14-32(26)19-23-9-5-10-25(29)24(23)17-30/h3-5,7-10,12-13,15,26-27,31,33H,6,11,14,16,18-19H2,1-2H3/t26-,27-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175362
PNG
(4-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccc(cc1)C#N
Show InChI InChI=1S/C28H33N3O/c1-28(2,17-23-13-14-24-6-3-4-7-25(24)16-23)30-19-27(32)26-8-5-15-31(26)20-22-11-9-21(18-29)10-12-22/h3-4,6-7,9-14,16,26-27,30,32H,5,8,15,17,19-20H2,1-2H3/t26-,27-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175363
PNG
(3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-2-yl)-2-meth...)
Show SMILES CC(C)(Cc1cc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H31N3OS/c1-26(2,15-22-14-21-9-3-4-11-25(21)31-22)28-17-24(30)23-10-6-12-29(23)18-20-8-5-7-19(13-20)16-27/h3-5,7-9,11,13-14,23-24,28,30H,6,10,12,15,17-18H2,1-2H3/t23-,24-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175374
PNG
((R)-2-chloro-6-(2-hydroxy-3-(methyl(2-methyl-1-(na...)
Show SMILES CN(C[C@@H](O)COc1cccc(Cl)c1C#N)C(C)(C)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C25H27ClN2O2/c1-25(2,14-18-11-12-19-7-4-5-8-20(19)13-18)28(3)16-21(29)17-30-24-10-6-9-23(26)22(24)15-27/h4-13,21,29H,14,16-17H2,1-3H3/t21-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175386
PNG
(2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccccc1C#N
Show InChI InChI=1S/C28H33N3O/c1-28(2,17-21-13-14-22-8-3-4-9-23(22)16-21)30-19-27(32)26-12-7-15-31(26)20-25-11-6-5-10-24(25)18-29/h3-6,8-11,13-14,16,26-27,30,32H,7,12,15,17,19-20H2,1-2H3/t26-,27-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175378
PNG
((R)-1-((R)-1-(2,3-difluorobenzyl)pyrrolidin-2-yl)-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1F
Show InChI InChI=1S/C27H32F2N2O/c1-27(2,16-19-12-13-20-7-3-4-8-21(20)15-19)30-17-25(32)24-11-6-14-31(24)18-22-9-5-10-23(28)26(22)29/h3-5,7-10,12-13,15,24-25,30,32H,6,11,14,16-18H2,1-2H3/t24-,25-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175370
PNG
(3-(((R)-2-((R)-2-(1-(1H-indol-2-yl)-2-methylpropan...)
Show SMILES CC(C)(Cc1cc2ccccc2[nH]1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H32N4O/c1-26(2,15-22-14-21-9-3-4-10-23(21)29-22)28-17-25(31)24-11-6-12-30(24)18-20-8-5-7-19(13-20)16-27/h3-5,7-10,13-14,24-25,28-29,31H,6,11-12,15,17-18H2,1-2H3/t24-,25-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
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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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175357
PNG
((R)-2-chloro-6-(3-(1-(4-fluorophenyl)-2-methylprop...)
Show SMILES CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C20H22ClFN2O2/c1-20(2,10-14-6-8-15(22)9-7-14)24-12-16(25)13-26-19-5-3-4-18(21)17(19)11-23/h3-9,16,24-25H,10,12-13H2,1-2H3/t16-/m1/s1
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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175381
PNG
((R)-1-((R)-1-(3-fluorobenzyl)pyrrolidin-2-yl)-2-(2...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(F)c1
Show InChI InChI=1S/C27H33FN2O/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)29-18-26(31)25-11-6-14-30(25)19-21-7-5-10-24(28)16-21/h3-5,7-10,12-13,15-16,25-26,29,31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 750n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175368
PNG
((R)-1-((R)-1-(4-nitrobenzyl)pyrrolidin-2-yl)-2-(2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C27H33N3O3/c1-27(2,17-21-9-12-22-6-3-4-7-23(22)16-21)28-18-26(31)25-8-5-15-29(25)19-20-10-13-24(14-11-20)30(32)33/h3-4,6-7,9-14,16,25-26,28,31H,5,8,15,17-19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 790n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175352
PNG
(2-chloro-6-(3-(2-methyl-1-(naphthalen-2-yl)propan-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NCCCOc1cccc(Cl)c1C#N
Show InChI InChI=1S/C24H25ClN2O/c1-24(2,16-18-11-12-19-7-3-4-8-20(19)15-18)27-13-6-14-28-23-10-5-9-22(25)21(23)17-26/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3
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n/an/a 880n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175353
PNG
(2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1ccccc1O
Show InChI InChI=1S/C27H34N2O2/c1-27(2,17-20-13-14-21-8-3-4-9-22(21)16-20)28-18-26(31)24-11-7-15-29(24)19-23-10-5-6-12-25(23)30/h3-6,8-10,12-14,16,24,26,28,30-31H,7,11,15,17-19H2,1-2H3/t24-,26-/m1/s1
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n/an/a 970n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175358
PNG
(3-(((R)-2-((R)-2-(1-(benzo[b]thiophen-3-yl)-2-meth...)
Show SMILES CC(C)(Cc1csc2ccccc12)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C26H31N3OS/c1-26(2,14-21-18-31-25-11-4-3-9-22(21)25)28-16-24(30)23-10-6-12-29(23)17-20-8-5-7-19(13-20)15-27/h3-5,7-9,11,13,18,23-24,28,30H,6,10,12,14,16-17H2,1-2H3/t23-,24-/m1/s1
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n/an/a 1.00E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175355
PNG
(3-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(O)c1
Show InChI InChI=1S/C27H34N2O2/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)28-18-26(31)25-11-6-14-29(25)19-21-7-5-10-24(30)16-21/h3-5,7-10,12-13,15-16,25-26,28,30-31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 1.16E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175372
PNG
((R)-1-((R)-1-(3-methoxybenzyl)pyrrolidin-2-yl)-2-(...)
Show SMILES COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C28H36N2O2/c1-28(2,18-21-13-14-23-9-4-5-10-24(23)16-21)29-19-27(31)26-12-7-15-30(26)20-22-8-6-11-25(17-22)32-3/h4-6,8-11,13-14,16-17,26-27,29,31H,7,12,15,18-20H2,1-3H3/t26-,27-/m1/s1
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n/an/a 1.19E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175379
PNG
(2-(((R)-2-((S)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@H](O)[C@H]1CCCN1Cc1ccccc1C#N
Show InChI InChI=1S/C28H33N3O/c1-28(2,17-21-13-14-22-8-3-4-9-23(22)16-21)30-19-27(32)26-12-7-15-31(26)20-25-11-6-5-10-24(25)18-29/h3-6,8-11,13-14,16,26-27,30,32H,7,12,15,17,19-20H2,1-2H3/t26-,27+/m1/s1
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n/an/a 1.27E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175361
PNG
(3-(((R)-2-((R)-2-(1-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES CC(C)(Cc1nc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H30N4OS/c1-25(2,14-24-28-20-9-3-4-11-23(20)31-24)27-16-22(30)21-10-6-12-29(21)17-19-8-5-7-18(13-19)15-26/h3-5,7-9,11,13,21-22,27,30H,6,10,12,14,16-17H2,1-2H3/t21-,22-/m1/s1
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n/an/a 1.35E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175388
PNG
((S)-1-(3-methoxyphenoxy)-3-(1-(4-methoxyphenyl)-2-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(OC)c2)cc1
Show InChI InChI=1S/C21H29NO4/c1-21(2,13-16-8-10-18(24-3)11-9-16)22-14-17(23)15-26-20-7-5-6-19(12-20)25-4/h5-12,17,22-23H,13-15H2,1-4H3/t17-/m0/s1
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n/an/a 1.39E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175359
PNG
(2-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES COc1cccc(CN2CCC[C@@H]2[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c1O
Show InChI InChI=1S/C28H36N2O3/c1-28(2,17-20-13-14-21-8-4-5-9-22(21)16-20)29-18-25(31)24-11-7-15-30(24)19-23-10-6-12-26(33-3)27(23)32/h4-6,8-10,12-14,16,24-25,29,31-32H,7,11,15,17-19H2,1-3H3/t24-,25-/m1/s1
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n/an/a 1.56E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175376
PNG
((R)-1-((R)-1-(3-bromobenzyl)pyrrolidin-2-yl)-2-(2-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(Br)c1
Show InChI InChI=1S/C27H33BrN2O/c1-27(2,17-20-12-13-22-8-3-4-9-23(22)15-20)29-18-26(31)25-11-6-14-30(25)19-21-7-5-10-24(28)16-21/h3-5,7-10,12-13,15-16,25-26,29,31H,6,11,14,17-19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 1.57E+3n/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
More data for this
Ligand-Target Pair
Calcium sensing receptor


(Rattus norvegicus)
BDBM50175371
PNG
(3-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C28H33N3O/c1-28(2,17-21-12-13-24-9-3-4-10-25(24)16-21)30-19-27(32)26-11-6-14-31(26)20-23-8-5-7-22(15-23)18-29/h3-5,7-10,12-13,15-16,26-27,30,32H,6,11,14,17,19-20H2,1-2H3/t26-,27-/m1/s1
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n/an/a 2.20E+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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175391
PNG
((R)-1-((R)-1-Biphenyl-3-ylmethyl-pyrrolidin-2-yl)-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C33H38N2O/c1-33(2,22-25-17-18-28-13-6-7-14-29(28)20-25)34-23-32(36)31-16-9-19-35(31)24-26-10-8-15-30(21-26)27-11-4-3-5-12-27/h3-8,10-15,17-18,20-21,31-32,34,36H,9,16,19,22-24H2,1-2H3/t31-,32-/m1/s1
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n/an/a 2.47E+3n/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
More data for this
Ligand-Target Pair
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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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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175364
PNG
(3-(((R)-2-((R)-1-hydroxy-2-(1-(4-methoxyphenyl)-2-...)
Show SMILES COc1ccc(CC(C)(C)NC[C@@H](O)[C@H]2CCCN2Cc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C25H33N3O2/c1-25(2,15-19-9-11-22(30-3)12-10-19)27-17-24(29)23-8-5-13-28(23)18-21-7-4-6-20(14-21)16-26/h4,6-7,9-12,14,23-24,27,29H,5,8,13,15,17-18H2,1-3H3/t23-,24-/m1/s1
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n/an/a 2.67E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175390
PNG
(3-(((R)-2-((R)-2-(1-(1H-benzo[d]imidazol-2-yl)-2-m...)
Show SMILES CC(C)(Cc1nc2ccccc2[nH]1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C#N
Show InChI InChI=1S/C25H31N5O/c1-25(2,14-24-28-20-9-3-4-10-21(20)29-24)27-16-23(31)22-11-6-12-30(22)17-19-8-5-7-18(13-19)15-26/h3-5,7-10,13,22-23,27,31H,6,11-12,14,16-17H2,1-2H3,(H,28,29)/t22-,23-/m1/s1
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n/an/a 2.84E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175383
PNG
((R)-1-(1-(4-fluorophenyl)-2-methylpropan-2-ylamino...)
Show SMILES CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)COc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H23F4NO3/c1-19(2,11-14-3-5-15(21)6-4-14)25-12-16(26)13-27-17-7-9-18(10-8-17)28-20(22,23)24/h3-10,16,25-26H,11-13H2,1-2H3/t16-/m1/s1
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n/an/a 3.30E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175366
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-(naphthalen-2-yl)et...)
Show SMILES O[C@H](CNCCc1ccc2ccccc2c1)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C22H21ClN2O2/c23-21-6-3-7-22(20(21)13-24)27-15-19(26)14-25-11-10-16-8-9-17-4-1-2-5-18(17)12-16/h1-9,12,19,25-26H,10-11,14-15H2/t19-/m1/s1
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n/an/a 3.86E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175385
PNG
((R)-2-chloro-6-(2-hydroxy-3-(naphthalen-2-ylamino)...)
Show SMILES O[C@H](CNc1ccc2ccccc2c1)COc1cccc(Cl)c1C#N
Show InChI InChI=1S/C20H17ClN2O2/c21-19-6-3-7-20(18(19)11-22)25-13-17(24)12-23-16-9-8-14-4-1-2-5-15(14)10-16/h1-10,17,23-24H,12-13H2/t17-/m1/s1
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n/an/a 4.60E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175367
PNG
((R)-1-(2,3-dichlorophenylthio)-3-(1-(4-fluoropheny...)
Show SMILES CC(C)(Cc1ccc(F)cc1)NC[C@@H](O)CSc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H22Cl2FNOS/c1-19(2,10-13-6-8-14(22)9-7-13)23-11-15(24)12-25-17-5-3-4-16(20)18(17)21/h3-9,15,23-24H,10-12H2,1-2H3/t15-/m1/s1
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n/an/a 6.18E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175373
PNG
(3-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(c1)C(O)=O
Show InChI InChI=1S/C28H34N2O3/c1-28(2,17-20-12-13-22-8-3-4-9-23(22)15-20)29-18-26(31)25-11-6-14-30(25)19-21-7-5-10-24(16-21)27(32)33/h3-5,7-10,12-13,15-16,25-26,29,31H,6,11,14,17-19H2,1-2H3,(H,32,33)/t25-,26-/m1/s1
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n/an/a 6.84E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175369
PNG
(3-((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)[C@H]1CCCN1C(=O)c1cccc(c1)C#N
Show InChI InChI=1S/C28H31N3O2/c1-28(2,17-20-12-13-22-8-3-4-9-23(22)15-20)30-19-26(32)25-11-6-14-31(25)27(33)24-10-5-7-21(16-24)18-29/h3-5,7-10,12-13,15-16,25-26,30,32H,6,11,14,17,19H2,1-2H3/t25-,26-/m1/s1
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n/an/a 8.43E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175389
PNG
((S)-1-(2-methyl-1-phenylpropan-2-ylamino)-3-(2-(me...)
Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)COc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C20H27NO4S/c1-20(2,13-16-9-5-4-6-10-16)21-14-17(22)15-25-18-11-7-8-12-19(18)26(3,23)24/h4-12,17,21-22H,13-15H2,1-3H3/t17-/m0/s1
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n/an/a 9.43E+3n/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
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50175356
PNG
(1-(1-(4-methoxyphenyl)-2-methylpropan-2-ylamino)-3...)
Show SMILES COc1ccc(CC(C)(C)NCC(O)COc2ccc(c(C)c2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H31NO5S/c1-16-12-20(10-11-21(16)29(5,25)26)28-15-18(24)14-23-22(2,3)13-17-6-8-19(27-4)9-7-17/h6-12,18,23-24H,13-15H2,1-5H3
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n/an/a 1.14E+4n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%