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Compile Data Set for Download or QSAR

Found 216 hits of ec50 data for polymerid = 8614   
Target
(Institution)
LigandTarget
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))
BDBM50444165
PNG
(CHEMBL3093422)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H34ClN5O4S2/c32-29-28(25-11-13-26(14-12-25)43(33,39)40)34-30(42-29)35-31(38)37(18-17-36-19-21-41-22-20-36)16-15-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-22H2,(H2,33,39,40)(H,34,35,38)
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n/an/an/an/a 2n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM205502
PNG
(US9253997, 14)
Show SMILES Cc1c(Cl)cc(cc1NC(=O)NCC(N)C(O)=O)S(O)(=O)=O
Show InChI InChI=1/C11H14ClN3O6S/c1-5-7(12)2-6(22(19,20)21)3-9(5)15-11(18)14-4-8(13)10(16)17/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,18)(H,19,20,21)
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n/an/an/an/a 3n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM50444166
PNG
(CHEMBL3093421)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C32H36ClN5O4S2/c1-44(40,41)36-27-14-12-26(13-15-27)29-30(33)43-31(34-29)35-32(39)38(19-18-37-20-22-42-23-21-37)17-16-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,28,36H,16-23H2,1H3,(H,34,35,39)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50444163
PNG
(CHEMBL3093424)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C30H34N6O4S2/c31-42(38,39)26-13-11-25(12-14-26)28-32-29(41-34-28)33-30(37)36(18-17-35-19-21-40-22-20-35)16-15-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-22H2,(H2,31,38,39)(H,32,33,34,37)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM205500
PNG
(US9253997, 6)
Show SMILES N[C@@H](CNC(=O)Nc1cc(Cl)cc(c1O)S(O)(=O)=O)C(O)=O
Show InChI InChI=1/C10H12ClN3O7S/c11-4-1-6(8(15)7(2-4)22(19,20)21)14-10(18)13-3-5(12)9(16)17/h1-2,5,15H,3,12H2,(H,16,17)(H2,13,14,18)(H,19,20,21)/t5-/s2
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n/an/an/an/a 3n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM205515
PNG
(US9253997, 67)
Show SMILES COC(=O)[C@@H](N)CNC(=O)Nc1cc(Cl)cc(c1O)S(O)(=O)=O
Show InChI InChI=1/C11H14ClN3O7S/c1-22-10(17)6(13)4-14-11(18)15-7-2-5(12)3-8(9(7)16)23(19,20)21/h2-3,6,16H,4,13H2,1H3,(H2,14,15,18)(H,19,20,21)/t6-/s2
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n/an/an/an/a 3n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM50444173
PNG
(CHEMBL3093425)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccccc2F)c2ccccc2F)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-9-11-22(12-10-21)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-23(24-5-1-3-7-26(24)33)25-6-2-4-8-27(25)34/h1-12,23H,13-20H2,(H2,35,41,42)(H,36,37,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM205511
PNG
(US9253997, 47)
Show SMILES Cc1c(Cl)cc(cc1NC(=S)NC[C@H](N)C(O)=O)S(O)(=O)=O
Show InChI InChI=1/C11H14ClN3O5S2/c1-5-7(12)2-6(22(18,19)20)3-9(5)15-11(21)14-4-8(13)10(16)17/h2-3,8H,4,13H2,1H3,(H,16,17)(H2,14,15,21)(H,18,19,20)/t8-/s2
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n/an/an/an/a 4n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM50444164
PNG
(CHEMBL3093423)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C31H36N6O4S2/c1-43(39,40)35-27-14-12-26(13-15-27)29-32-30(42-34-29)33-31(38)37(19-18-36-20-22-41-23-21-36)17-16-28(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,28,35H,16-23H2,1H3,(H,32,33,34,38)
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n/an/an/an/a 6n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50444169
PNG
(CHEMBL3093429)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C30H32F2N6O4S2/c31-24-7-1-21(2-8-24)27(22-3-9-25(32)10-4-22)13-14-38(16-15-37-17-19-42-20-18-37)30(39)35-29-34-28(36-43-29)23-5-11-26(12-6-23)44(33,40)41/h1-12,27H,13-20H2,(H2,33,40,41)(H,34,35,36,39)
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n/an/an/an/a 9n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50444170
PNG
(CHEMBL3093428)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C32H34ClF2N5O4S2/c1-46(42,43)38-27-12-6-24(7-13-27)29-30(33)45-31(36-29)37-32(41)40(17-16-39-18-20-44-21-19-39)15-14-28(22-2-8-25(34)9-3-22)23-4-10-26(35)11-5-23/h2-13,28,38H,14-21H2,1H3,(H,36,37,41)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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
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)

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


(Homo sapiens (Human))
BDBM50444171
PNG
(CHEMBL3093427)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(23-5-11-26(12-6-23)45(35,41)42)36-30(44-29)37-31(40)39(16-15-38-17-19-43-20-18-38)14-13-27(21-1-7-24(33)8-2-21)22-3-9-25(34)10-4-22/h1-12,27H,13-20H2,(H2,35,41,42)(H,36,37,40)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50444167
PNG
(CHEMBL3093411)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1csc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C32H37N5O4S2/c1-43(39,40)35-28-14-12-27(13-15-28)30-24-42-31(33-30)34-32(38)37(19-18-36-20-22-41-23-21-36)17-16-29(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,24,29,35H,16-23H2,1H3,(H,33,34,38)
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n/an/an/an/a 16n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50325740
PNG
((R)-1-(6-methoxy-4'-(trifluoromethyl)biphenyl-3-yl...)
Show SMILES COc1ccc(cc1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C24H24F3NO/c1-16(18-7-5-4-6-8-18)28-17(2)20-11-14-23(29-3)22(15-20)19-9-12-21(13-10-19)24(25,26)27/h4-17,28H,1-3H3/t16-,17-/m1/s1
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n/an/an/an/a 17n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)

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


(Homo sapiens (Human))
BDBM50444177
PNG
(CHEMBL3093419)
Show SMILES CS(=O)(=O)c1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C32H36N4O4S2/c1-42(38,39)30-29(27-15-9-4-10-16-27)33-31(41-30)34-32(37)36(20-19-35-21-23-40-24-22-35)18-17-28(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-16,28H,17-24H2,1H3,(H,33,34,37)
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n/an/an/an/a 17n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50444175
PNG
(CHEMBL3093420)
Show SMILES Clc1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C31H33ClN4O2S/c32-29-28(26-14-8-3-9-15-26)33-30(39-29)34-31(37)36(19-18-35-20-22-38-23-21-35)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,33,34,37)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM205517
PNG
(US9253997, 77)
Show SMILES N[C@@H](CNC(=O)Nc1cccc(c1)S(O)(=O)=O)C(O)=O
Show InChI InChI=1/C10H13N3O6S/c11-8(9(14)15)5-12-10(16)13-6-2-1-3-7(4-6)20(17,18)19/h1-4,8H,5,11H2,(H,14,15)(H2,12,13,16)(H,17,18,19)/t8-/s2
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n/an/an/an/a 18n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM50444172
PNG
(CHEMBL3093426)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2cccc(F)c2)c2cccc(F)c2)CCN2CCOCC2)sc1Cl
Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-7-9-26(10-8-21)45(35,41)42)36-30(44-29)37-31(40)39(14-13-38-15-17-43-18-16-38)12-11-27(22-3-1-5-24(33)19-22)23-4-2-6-25(34)20-23/h1-10,19-20,27H,11-18H2,(H2,35,41,42)(H,36,37,40)
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n/an/an/an/a 19n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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
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)

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


(Homo sapiens (Human))
BDBM50444168
PNG
(CHEMBL3093430)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nsc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)n1
Show InChI InChI=1S/C31H34F2N6O4S2/c1-45(41,42)37-27-12-6-24(7-13-27)29-34-30(44-36-29)35-31(40)39(17-16-38-18-20-43-21-19-38)15-14-28(22-2-8-25(32)9-3-22)23-4-10-26(33)11-5-23/h2-13,28,37H,14-21H2,1H3,(H,34,35,36,40)
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n/an/an/an/a 20n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50432976
PNG
(CHEMBL2377740)
Show SMILES Clc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc12
Show InChI InChI=1S/C29H31ClN4O2S/c30-25-12-7-13-26-27(25)31-28(37-26)32-29(35)34(17-16-33-18-20-36-21-19-33)15-14-24(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,24H,14-21H2,(H,31,32,35)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50432950
PNG
(CHEMBL2377735)
Show SMILES O=C(Nc1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C29H32N4O2S/c34-29(31-28-30-26-13-7-8-14-27(26)36-28)33(18-17-32-19-21-35-22-20-32)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H,30,31,34)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50444180
PNG
(CHEMBL3093416)
Show SMILES O=C(Nc1nc(ns1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C30H33N5O2S/c36-30(32-29-31-28(33-38-29)26-14-8-3-9-15-26)35(19-18-34-20-22-37-23-21-34)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,32,33,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50325734
PNG
((R)-N-((6-methoxy-4'-(trifluoromethyl)biphenyl-3-y...)
Show SMILES COc1cccc(c1)[C@@H](C)NCc1ccc(OC)c(c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H24F3NO2/c1-16(19-5-4-6-21(14-19)29-2)28-15-17-7-12-23(30-3)22(13-17)18-8-10-20(11-9-18)24(25,26)27/h4-14,16,28H,15H2,1-3H3/t16-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)

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


(Homo sapiens (Human))
BDBM50299683
PNG
(1(R)-1-(1-(4-bromophenyl)-5-methoxy-1H-pyrazol-3-y...)
Show SMILES COc1cc(nn1-c1ccc(Br)cc1)[C@@H](C)N[C@H](C)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21BrClN3O/c1-13(15-5-4-6-17(22)11-15)23-14(2)19-12-20(26-3)25(24-19)18-9-7-16(21)8-10-18/h4-14,23H,1-3H3/t13-,14-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay


J Med Chem 52: 6535-8 (2009)

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
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)

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


(Homo sapiens (Human))
BDBM50325735
PNG
((R)-N-((6-methoxy-4'-(trifluoromethyl)biphenyl-3-y...)
Show SMILES COc1ccc(CN[C@H](C)c2ccccc2)cc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO/c1-16(18-6-4-3-5-7-18)27-15-17-8-13-22(28-2)21(14-17)19-9-11-20(12-10-19)23(24,25)26/h3-14,16,27H,15H2,1-2H3/t16-/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)

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


(Homo sapiens (Human))
BDBM50432967
PNG
(CHEMBL2377749)
Show SMILES Cc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show InChI InChI=1S/C30H34N4O2S/c1-23-12-13-27-28(22-23)37-29(31-27)32-30(35)34(17-16-33-18-20-36-21-19-33)15-14-26(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-13,22,26H,14-21H2,1H3,(H,31,32,35)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50432968
PNG
(CHEMBL2377748)
Show SMILES CS(=O)(=O)Nc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show InChI InChI=1S/C30H35N5O4S2/c1-41(37,38)33-25-12-13-27-28(22-25)40-29(31-27)32-30(36)35(17-16-34-18-20-39-21-19-34)15-14-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,26,33H,14-21H2,1H3,(H,31,32,36)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50432973
PNG
(CHEMBL2377743)
Show SMILES CS(=O)(=O)Nc1ccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc2c1
Show InChI InChI=1S/C30H35N5O4S2/c1-41(37,38)33-25-12-13-28-27(22-25)31-29(40-28)32-30(36)35(17-16-34-18-20-39-21-19-34)15-14-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,26,33H,14-21H2,1H3,(H,31,32,36)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50432975
PNG
(CHEMBL2377741)
Show SMILES COc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc12
Show InChI InChI=1S/C30H34N4O3S/c1-36-26-13-8-14-27-28(26)31-29(38-27)32-30(35)34(18-17-33-19-21-37-22-20-33)16-15-25(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3,(H,31,32,35)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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)

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


(Homo sapiens (Human))
BDBM50444181
PNG
(CHEMBL3093417)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C31H34N4O2S/c36-31(33-30-32-29(24-38-30)27-14-8-3-9-15-27)35(19-18-34-20-22-37-23-21-34)17-16-28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2,(H,32,33,36)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50325736
PNG
((R)-1-(3-fluorophenyl)-N-((6-methoxy-4'-(trifluoro...)
Show SMILES COc1ccc(CN[C@H](C)c2cccc(F)c2)cc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO/c1-15(18-4-3-5-20(24)13-18)28-14-16-6-11-22(29-2)21(12-16)17-7-9-19(10-8-17)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 37n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)

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


(Homo sapiens (Human))
BDBM205508
PNG
(US9253997, 41)
Show SMILES N[C@@H](CCC(=O)Nc1cc(Cl)cc(c1O)S(O)(=O)=O)C(=O)NO
Show InChI InChI=1/C11H14ClN3O7S/c12-5-3-7(10(17)8(4-5)23(20,21)22)14-9(16)2-1-6(13)11(18)15-19/h3-4,6,17,19H,1-2,13H2,(H,14,16)(H,15,18)(H,20,21,22)/t6-/s2
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n/an/an/an/a 39n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM205499
PNG
(US9253997, 4)
Show SMILES N[C@@H](CSC(=O)Nc1cccc(c1)S(O)(=O)=O)C(O)=O
Show InChI InChI=1/C10H12N2O6S2/c11-8(9(13)14)5-19-10(15)12-6-2-1-3-7(4-6)20(16,17)18/h1-4,8H,5,11H2,(H,12,15)(H,13,14)(H,16,17,18)/t8-/s2
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n/an/an/an/a 40n/an/an/an/a



AJINOMOTO CO., INC.

US Patent


Assay Description
293E cells (EBNA1-expressing IIEK293 cells, ATCC No. CRL-10852) were cultured in DMEM (1.0 g/ml Glucose-containing Dulbecco's modified Eagle medium, ...


US Patent US9253997 (2016)

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


(Homo sapiens (Human))
BDBM50432972
PNG
(CHEMBL2377744)
Show SMILES COc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show InChI InChI=1S/C30H34N4O3S/c1-36-25-12-13-27-28(22-25)38-29(31-27)32-30(35)34(17-16-33-18-20-37-21-19-33)15-14-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,26H,14-21H2,1H3,(H,31,32,35)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50299682
PNG
((1R)-1-(3-chlorophenyl)-N-((1R)-1-(5-methoxy-1-(4-...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClF3N3O/c1-13(15-5-4-6-17(22)11-15)26-14(2)19-12-20(29-3)28(27-19)18-9-7-16(8-10-18)21(23,24)25/h4-14,26H,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 41n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay


J Med Chem 52: 6535-8 (2009)

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


(Homo sapiens (Human))
BDBM50444176
PNG
(CHEMBL3093418)
Show SMILES Fc1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1
Show InChI InChI=1S/C31H33FN4O2S/c32-29-28(26-14-8-3-9-15-26)33-30(39-29)34-31(37)36(19-18-35-20-22-38-23-21-35)17-16-27(24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,33,34,37)
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n/an/an/an/a 53n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activation of human CaSR


Bioorg Med Chem Lett 23: 6625-8 (2013)

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


(Homo sapiens (Human))
BDBM50299684
PNG
((1R)-1-(3-chlorophenyl)-N-((1R)-1-(1-(3-chlorophen...)
Show SMILES COc1cc(nn1-c1cccc(Cl)c1)[C@@H](C)N[C@H](C)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21Cl2N3O/c1-13(15-6-4-7-16(21)10-15)23-14(2)19-12-20(26-3)25(24-19)18-9-5-8-17(22)11-18/h4-14,23H,1-3H3/t13-,14-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay


J Med Chem 52: 6535-8 (2009)

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


(Homo sapiens (Human))
BDBM50325739
PNG
((R)-1-(4-fluorophenyl)-N-((6-methoxy-4'-(trifluoro...)
Show SMILES COc1ccc(CN[C@H](C)c2ccc(F)cc2)cc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H21F4NO/c1-15(17-6-10-20(24)11-7-17)28-14-16-3-12-22(29-2)21(13-16)18-4-8-19(9-5-18)23(25,26)27/h3-13,15,28H,14H2,1-2H3/t15-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulation of calcium sensing receptor by FLIPR assay in presence of extracellular calcium


Bioorg Med Chem Lett 20: 5544-7 (2010)

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


(Homo sapiens (Human))
BDBM50432949
PNG
(CHEMBL2377736)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C29H33N5O2/c35-29(32-28-30-26-13-7-8-14-27(26)31-28)34(18-17-33-19-21-36-22-20-33)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H2,30,31,32,35)
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n/an/an/an/a 60n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50432146
PNG
(CHEMBL2346788)
Show SMILES COC(=O)c1cccc(NC(=O)N(CCCN2CCNCC2)CCC(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C31H38N4O3/c1-38-30(36)27-14-8-15-28(24-27)33-31(37)35(20-9-19-34-22-17-32-18-23-34)21-16-29(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-8,10-15,24,29,32H,9,16-23H2,1H3,(H,33,37)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)

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


(Homo sapiens (Human))
BDBM50432119
PNG
(CHEMBL2349603)
Show SMILES O=C(Nc1cccc(c1)-c1cnco1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
Show InChI InChI=1S/C31H34N4O3/c36-31(33-28-13-7-12-27(22-28)30-23-32-24-38-30)35(17-16-34-18-20-37-21-19-34)15-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,22-24,29H,14-21H2,(H,33,36)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)

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


(Homo sapiens (Human))
BDBM50432113
PNG
(CHEMBL2349575)
Show SMILES Cn1nnc(n1)-c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
Show InChI InChI=1S/C30H35N7O2/c1-35-33-29(32-34-35)26-13-8-14-27(23-26)31-30(38)37(18-17-36-19-21-39-22-20-36)16-15-28(24-9-4-2-5-10-24)25-11-6-3-7-12-25/h2-14,23,28H,15-22H2,1H3,(H,31,38)
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Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 2451-4 (2013)

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


(Homo sapiens (Human))
BDBM50432970
PNG
(CHEMBL2377746)
Show SMILES Clc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
Show InChI InChI=1S/C29H31ClN4O2S/c30-24-11-12-26-27(21-24)37-28(31-26)32-29(35)34(16-15-33-17-19-36-20-18-33)14-13-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,25H,13-20H2,(H,31,32,35)
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n/an/an/an/a 60n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

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


(Homo sapiens (Human))
BDBM50299681
PNG
((R)-N-((R)-1-(5-methoxy-1-(4-(trifluoromethyl)phen...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(F)(F)F)[C@@H](C)N[C@H](C)c1ccccc1
Show InChI InChI=1S/C21H22F3N3O/c1-14(16-7-5-4-6-8-16)25-15(2)19-13-20(28-3)27(26-19)18-11-9-17(10-12-18)21(22,23)24/h4-15,25H,1-3H3/t14-,15-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Activity at human CaSR expressed in HEK293 cells assessed as calcium release by FLIPR assay


J Med Chem 52: 6535-8 (2009)

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
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)

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


(Homo sapiens (Human))
BDBM50432960
PNG
(KRN-568 | NPS-R-568 | Norcalcin | R-568 | TECALCET...)
Show SMILES COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl
Show InChI InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Galapagos SASU

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human CaSR expressed in CHO cells assessed as increase in intracellular calcium level after 5 hrs by luciferase rep...


Bioorg Med Chem Lett 23: 2455-9 (2013)

More data for this
Ligand-Target Pair
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