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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261674
PNG
(CHEMBL4086045)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCn1cnc(C(O)=O)c1C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C30H31N5O5/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)33-22-13-15-34(17-22)23-11-9-21(10-12-23)28(36)31-14-16-35-18-32-26(29(37)38)27(35)30(39)40/h2-12,18-19,22,33H,13-17H2,1H3,(H,31,36)(H,37,38)(H,39,40)/t19-,22+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain CB2 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261669
PNG
(CHEMBL4084641)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCCn1cnc(C(O)=O)c1C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C29H31N5O6S/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)32-21-13-15-33(17-21)22-9-11-23(12-10-22)41(39,40)31-14-16-34-18-30-26(28(35)36)27(34)29(37)38/h2-12,18-19,21,31-32H,13-17H2,1H3,(H,35,36)(H,37,38)/t19-,21+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from mouse brain CB2 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261667
PNG
(CHEMBL4101097)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCNC(CO)(CO)CO)c1cccc2ccccc12
Show InChI InChI=1S/C29H38N4O4/c1-21(26-8-4-6-22-5-2-3-7-27(22)26)32-24-13-16-33(17-24)25-11-9-23(10-12-25)28(37)30-14-15-31-29(18-34,19-35)20-36/h2-12,21,24,31-32,34-36H,13-20H2,1H3,(H,30,37)/t21-,24+/m1/s1
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n/an/an/an/a 7.90n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261664
PNG
(CHEMBL4067601)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCCN(C)C)c1cccc2ccccc12
Show InChI InChI=1S/C26H34N4O2S/c1-20(25-10-6-8-21-7-4-5-9-26(21)25)28-22-15-17-30(19-22)23-11-13-24(14-12-23)33(31,32)27-16-18-29(2)3/h4-14,20,22,27-28H,15-19H2,1-3H3/t20-,22+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261675
PNG
(CHEMBL4060025)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCN)c1cccc2ccccc12
Show InChI InChI=1S/C25H30N4O/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)28-21-13-16-29(17-21)22-11-9-20(10-12-22)25(30)27-15-14-26/h2-12,18,21,28H,13-17,26H2,1H3,(H,27,30)/t18-,21+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human brain CB2 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261666
PNG
(CHEMBL4100132)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCCNC(CO)(CO)CO)c1cccc2ccccc12
Show InChI InChI=1S/C31H42N4O4/c1-23(28-10-6-8-24-7-2-3-9-29(24)28)34-26-15-18-35(19-26)27-13-11-25(12-14-27)30(39)32-16-4-5-17-33-31(20-36,21-37)22-38/h2-3,6-14,23,26,33-34,36-38H,4-5,15-22H2,1H3,(H,32,39)/t23-,26+/m1/s1
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n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272596
PNG
(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
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n/an/an/an/a 17n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261693
PNG
(CHEMBL4072950)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(N)(=O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H25N3O2S/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-18-13-14-25(15-18)19-9-11-20(12-10-19)28(23,26)27/h2-12,16,18,24H,13-15H2,1H3,(H2,23,26,27)/t16-,18+/m1/s1
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n/an/an/an/a 20n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261665
PNG
(CHEMBL4082125)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N(C)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1cccc2ccccc12
Show InChI InChI=1S/C29H37N3O6/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)30-21-14-15-32(16-21)22-12-10-20(11-13-22)28(37)31(2)29(38)27(36)26(35)25(34)17-33/h3-13,18,21,25-27,29-30,33-36,38H,14-17H2,1-2H3/t18-,21+,25+,26-,27-,29+/m1/s1
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n/an/an/an/a 32n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261695
PNG
(CHEMBL4092377)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCS(O)(=O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O4S/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(29)26-14-16-33(30,31)32/h2-12,18,21,27H,13-17H2,1H3,(H,26,29)(H,30,31,32)/t18-,21+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261696
PNG
(CHEMBL4074358)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NC(CO)(CO)CO)c1cccc2ccccc12
Show InChI InChI=1S/C27H33N3O4/c1-19(24-8-4-6-20-5-2-3-7-25(20)24)28-22-13-14-30(15-22)23-11-9-21(10-12-23)26(34)29-27(16-31,17-32)18-33/h2-12,19,22,28,31-33H,13-18H2,1H3,(H,29,34)/t19-,22+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261691
PNG
(CHEMBL4094738)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NCC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H27N3O4S/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)26-19-13-14-27(16-19)20-9-11-21(12-10-20)32(30,31)25-15-24(28)29/h2-12,17,19,25-26H,13-16H2,1H3,(H,28,29)/t17-,19+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Bos taurus)		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
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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n/an/an/an/a 41n/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CaSR in bovine parathyroid cells assessed as increase in PTH level

J Med Chem 53: 4332-53 (2010)


Article DOI: 10.1021/jm9018756
BindingDB Entry DOI: 10.7270/Q21R6QPF
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272602
PNG
(CHEMBL4126877)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261661
PNG
(CHEMBL4071600)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Calcium sensing receptor


(Homo sapiens)		BDBM50261661
PNG
(CHEMBL4071600)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261692
PNG
(CHEMBL4068107)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H27N3O3/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)27-20-13-14-28(16-20)21-11-9-19(10-12-21)25(31)26-15-24(29)30/h2-12,17,20,27H,13-16H2,1H3,(H,26,31)(H,29,30)/t17-,20+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272591
PNG
(CHEMBL4128835)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(CC(O)=O)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28;;/h2-12,17,20,25H,13-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261660
PNG
(CHEMBL4070562)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N[C@H](CCCCN)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C29H36N4O3/c1-20(25-10-6-8-21-7-2-3-9-26(21)25)31-23-16-18-33(19-23)24-14-12-22(13-15-24)28(34)32-27(29(35)36)11-4-5-17-30/h2-3,6-10,12-15,20,23,27,31H,4-5,11,16-19,30H2,1H3,(H,32,34)(H,35,36)/t20-,23+,27-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272604
PNG
(CHEMBL4129011)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)27-18-13-14-28(15-18)19-9-11-20(12-10-19)29-23(24,25)26;;/h2-12,16,18,27H,13-15H2,1H3;2*1H/t16-,18+;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261668
PNG
(CHEMBL4062970)
Show SMILES [Cl-].C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCC[N+](C)(C)C)c1cccc2ccccc12
Show InChI InChI=1S/C28H36N4O.ClH/c1-21(26-11-7-9-22-8-5-6-10-27(22)26)30-24-16-18-31(20-24)25-14-12-23(13-15-25)28(33)29-17-19-32(2,3)4;/h5-15,21,24,30H,16-20H2,1-4H3;1H/t21-,24+;/m1./s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant dopamine D2S receptor expressed in HEK cells by GTPgammaS binding assay

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261663
PNG
(CHEMBL4079960)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O2/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27/h2-12,16,19,24H,13-15H2,1H3,(H,26,27)/t16-,19+/m1/s1
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n/an/an/an/a 158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		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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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272605
PNG
(CHEMBL4128542)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272593
PNG
(CHEMBL4129371)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)27-18-13-14-28(15-18)19-9-11-20(12-10-19)29-23(24,25)26;;/h2-12,16,18,27H,13-15H2,1H3;2*1H/t16-,18-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Mus musculus)		BDBM50261661
PNG
(CHEMBL4071600)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C32H40N4O3/c1-23(29-9-4-7-24-6-2-3-8-30(24)29)34-27-16-21-36(22-27)28-12-10-25(11-13-28)31(37)33-17-5-18-35-19-14-26(15-20-35)32(38)39/h2-4,6-13,23,26-27,34H,5,14-22H2,1H3,(H,33,37)(H,38,39)/t23-,27+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human brain CB2 receptor expressed in HEK293 cells

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261663
PNG
(CHEMBL4079960)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O2/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27/h2-12,16,19,24H,13-15H2,1H3,(H,26,27)/t16-,19+/m1/s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272607
PNG
(CHEMBL4126057)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272606
PNG
(CHEMBL4125917)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261694
PNG
(CHEMBL4097717)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N[C@H](CC(O)=O)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C27H29N3O5/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)28-20-13-14-30(16-20)21-11-9-19(10-12-21)26(33)29-24(27(34)35)15-25(31)32/h2-12,17,20,24,28H,13-16H2,1H3,(H,29,33)(H,31,32)(H,34,35)/t17-,20+,24-/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272608
PNG
(CHEMBL4125688)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19-;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272595
PNG
(CHEMBL4127153)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-19-12-13-28(15-19)20-9-5-8-18(14-20)23(24,25)26;;/h2-11,14,16,19,27H,12-13,15H2,1H3;2*1H/t16-,19+;;/m1../s1
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n/an/an/an/a 450n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261690
PNG
(CHEMBL4091950)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NC(=O)CCC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O5S/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-20-15-16-29(17-20)21-9-11-22(12-10-21)35(33,34)28-25(30)13-14-26(31)32/h2-12,18,20,27H,13-17H2,1H3,(H,28,30)(H,31,32)/t18-,20+/m1/s1
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-Ro- 15-4513 from alpha6 beta2 gamma2 subunits of Rat GABA-A receptor expressed in Sf-9 insect cell membranes

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272592
PNG
(CHEMBL4125724)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18+;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272594
PNG
(CHEMBL4130093)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19+;;/m1../s1
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Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272603
PNG
(CHEMBL4130141)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H26N2O2.2ClH/c1-17(22-10-4-7-18-6-2-3-9-23(18)22)25-20-8-5-15-26(16-20)21-13-11-19(12-14-21)24(27)28;;/h2-4,6-7,9-14,17,20,25H,5,8,15-16H2,1H3,(H,27,28);2*1H/t17-,20+;;/m1../s1
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n/an/an/an/a 1.10E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261697
PNG
(CHEMBL4069946)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)S(=O)(=O)NC(=O)CC(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H27N3O5S/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)26-19-13-14-28(16-19)20-9-11-21(12-10-20)34(32,33)27-24(29)15-25(30)31/h2-12,17,19,26H,13-16H2,1H3,(H,27,29)(H,30,31)/t17-,19+/m1/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in HEK293 cells assessed as increase in intracellular calcium mobilization by fluo-4AM dye based FLIPR assay

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50261662
PNG
(CHEMBL4076239)
Show SMILES C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)P(O)(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H25N2O3P/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)23-18-13-14-24(15-18)19-9-11-20(12-10-19)28(25,26)27/h2-12,16,18,23H,13-15H2,1H3,(H2,25,26,27)/t16-,18+/m1/s1
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n/an/an/an/a 3.16E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in human H292 cells assessed as accumulation of intracellular cAMP after 1 hr by Alpha...

Bioorg Med Chem Lett 27: 4673-4677 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.008
BindingDB Entry DOI: 10.7270/Q29889FR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens)		BDBM50272609
PNG
(CHEMBL4127295)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1ccc(cc1)C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N2O2.2ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-25(15-19)20-11-9-18(10-12-20)23(26)27;;/h2-12,16,19,24H,13-15H2,1H3,(H,26,27);2*1H/t16-,19-;;/m1../s1
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n/an/an/an/a 8.80E+3n/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human CaSR expressed in CHO cells assessed as increase in intracellular calcium mobilization after 1 hr by Fura-2 dye-based fluor...

Bioorg Med Chem Lett 28: 2055-2060 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.055
BindingDB Entry DOI: 10.7270/Q2DF6TP0
More data for this
Ligand-Target Pair