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PubMed code 27397499

Compile data set for download or QSAR
Found 21 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))
BDBM50190152
PNG
(CHEMBL3827259)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4ccccc4c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C30H35NO5/c1-17-9-12-23(24-25-26(29(33)34)28(25)36-27(17)24)18(2)35-16-22(32)15-31-30(3,4)14-19-10-11-20-7-5-6-8-21(20)13-19/h5-13,18,22,25-26,28,31-32H,14-16H2,1-4H3,(H,33,34)/t18-,22-,25+,26+,28+/s2
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n/an/a 7.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190168
PNG
(CHEMBL3827304)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4sccc4c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H33NO5S/c1-15-5-7-20(22-23-24(27(31)32)26(23)34-25(15)22)16(2)33-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-35-21/h5-11,16,19,23-24,26,29-30H,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190151
PNG
(CHEMBL3827570)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(C)c(C)c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H37NO5/c1-15-7-9-19(11-17(15)3)12-28(5,6)29-13-20(30)14-33-18(4)21-10-8-16(2)25-22(21)23-24(27(31)32)26(23)34-25/h7-11,18,20,23-24,26,29-30H,12-14H2,1-6H3,(H,31,32)/t18-,20-,23+,24+,26+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190155
PNG
(CHEMBL3827736)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CC3Cc4ccccc4C3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C29H37NO5/c1-16-9-10-22(23-24-25(28(32)33)27(24)35-26(16)23)17(2)34-15-21(31)14-30-29(3,4)13-18-11-19-7-5-6-8-20(19)12-18/h5-10,17-18,21,24-25,27,30-31H,11-15H2,1-4H3,(H,32,33)/t17-,21-,24+,25+,27+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190148
PNG
(CHEMBL3828187)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(OC)cc3Cl)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C27H34ClNO6/c1-14-6-9-19(21-22-23(26(31)32)25(22)35-24(14)21)15(2)34-13-17(30)12-29-27(3,4)11-16-7-8-18(33-5)10-20(16)28/h6-10,15,17,22-23,25,29-30H,11-13H2,1-5H3,(H,31,32)/t15-,17-,22+,23+,25+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190153
PNG
(CHEMBL3828483)
Show SMILES [H][C@@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4ccccc4c3)[C@]1([H])[C@H]2C(O)=O |r|
Show InChI InChI=1/C30H35NO5/c1-17-9-12-23(24-25-26(29(33)34)28(25)36-27(17)24)18(2)35-16-22(32)15-31-30(3,4)14-19-10-11-20-7-5-6-8-21(20)13-19/h5-13,18,22,25-26,28,31-32H,14-16H2,1-4H3,(H,33,34)/t18-,22-,25-,26-,28-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190162
PNG
(CHEMBL3827475)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4OCCOc4c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H35NO7/c1-15-5-7-19(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-18(30)13-29-28(3,4)12-17-6-8-20-21(11-17)34-10-9-33-20/h5-8,11,16,18,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,18-,23+,24+,26+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190166
PNG
(CHEMBL3827830)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCCc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H37NO5/c1-17-12-13-21(22-23-24(27(31)32)26(23)34-25(17)22)18(2)33-16-20(30)15-29-28(3,4)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,18,20,23-24,26,29-30H,8,11,14-16H2,1-4H3,(H,31,32)/t18-,20-,23+,24+,26+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190149
PNG
(CHEMBL3827041)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(SC)c(F)c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C27H34FNO5S/c1-14-6-8-18(21-22-23(26(31)32)25(22)34-24(14)21)15(2)33-13-17(30)12-29-27(3,4)11-16-7-9-20(35-5)19(28)10-16/h6-10,15,17,22-23,25,29-30H,11-13H2,1-5H3,(H,31,32)/t15-,17-,22+,23+,25+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190150
PNG
(CHEMBL3827209)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(SC)cc3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C27H35NO5S/c1-15-6-11-20(21-22-23(26(30)31)25(22)33-24(15)21)16(2)32-14-18(29)13-28-27(3,4)12-17-7-9-19(34-5)10-8-17/h6-11,16,18,22-23,25,28-29H,12-14H2,1-5H3,(H,30,31)/t16-,18-,22+,23+,25+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190156
PNG
(CHEMBL3828154)
Show SMILES [H][C@@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CC3Cc4ccccc4C3)[C@]1([H])[C@H]2C(O)=O |r|
Show InChI InChI=1/C29H37NO5/c1-16-9-10-22(23-24-25(28(32)33)27(24)35-26(16)23)17(2)34-15-21(31)14-30-29(3,4)13-18-11-19-7-5-6-8-20(19)12-18/h5-10,17-18,21,24-25,27,30-31H,11-15H2,1-4H3,(H,32,33)/t17-,21-,24-,25-,27-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190165
PNG
(CHEMBL3827577)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCSc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C27H35NO5S/c1-16-10-11-20(21-22-23(26(30)31)25(22)33-24(16)21)17(2)32-15-18(29)14-28-27(3,4)12-13-34-19-8-6-5-7-9-19/h5-11,17-18,22-23,25,28-29H,12-15H2,1-4H3,(H,30,31)/t17-,18-,22+,23+,25+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190158
PNG
(CHEMBL3827154)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(Cl)c(F)c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14-,16-,21+,22+,24+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190154
PNG
(CHEMBL3827723)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccc(C)c2OC3C(C3c12)C(O)=O |r|
Show InChI InChI=1/C30H35NO5/c1-17-9-12-23(24-25-26(29(33)34)28(25)36-27(17)24)18(2)35-16-22(32)15-31-30(3,4)14-19-10-11-20-7-5-6-8-21(20)13-19/h5-13,18,22,25-26,28,31-32H,14-16H2,1-4H3,(H,33,34)/t18?,22-,25?,26?,28?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190159
PNG
(CHEMBL3827356)
Show SMILES [H][C@@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(Cl)c(F)c3)[C@]1([H])[C@H]2C(O)=O |r|
Show InChI InChI=1/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14-,16-,21-,22-,24-/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190157
PNG
(CHEMBL3827912)
Show SMILES CC(OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1)c1ccc(C)c2OC3C(C3c12)C(O)=O |r|
Show InChI InChI=1/C29H37NO5/c1-16-9-10-22(23-24-25(28(32)33)27(24)35-26(16)23)17(2)34-15-21(31)14-30-29(3,4)13-18-11-19-7-5-6-8-20(19)12-18/h5-10,17-18,21,24-25,27,30-31H,11-15H2,1-4H3,(H,32,33)/t17?,21-,24?,25?,27?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190160
PNG
(CHEMBL3828182)
Show SMILES CC(OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccc(C)c2OC3C(C3c12)C(O)=O |r|
Show InChI InChI=1/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14?,16-,21?,22?,24?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190161
PNG
(CHEMBL3827410)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4ncccc4c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C29H34N2O5/c1-16-7-9-21(23-24-25(28(33)34)27(24)36-26(16)23)17(2)35-15-20(32)14-31-29(3,4)13-18-8-10-22-19(12-18)6-5-11-30-22/h5-12,17,20,24-25,27,31-32H,13-15H2,1-4H3,(H,33,34)/t17-,20-,24+,25+,27+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190164
PNG
(CHEMBL3827473)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CN3CCCC3Cc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C27H33NO5/c1-16-10-11-21(22-23-24(27(30)31)26(23)33-25(16)22)17(2)32-15-20(29)14-28-12-6-9-19(28)13-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19-20,23-24,26,29H,6,9,12-15H2,1-2H3,(H,30,31)/t17-,19?,20-,23+,24+,26+/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190163
PNG
(CHEMBL3828329)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CN3CCCC3(C)Cc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H35NO5/c1-17-10-11-21(22-23-24(27(31)32)26(23)34-25(17)22)18(2)33-16-20(30)15-29-13-7-12-28(29,3)14-19-8-5-4-6-9-19/h4-6,8-11,18,20,23-24,26,30H,7,12-16H2,1-3H3,(H,31,32)/t18-,20-,23+,24+,26+,28?/s2
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

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


(Homo sapiens (Human))
BDBM50190167
PNG
(CHEMBL3827898)
Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4c(CCS4(=O)=O)c3)[C@@]1([H])[C@@H]2C(O)=O |r|
Show InChI InChI=1/C28H35NO7S/c1-15-5-7-20(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-37(21,33)34/h5-8,11,16,19,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/s2
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UniChem

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay


Bioorg Med Chem Lett 26: 4077-80 (2016)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%