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PubMed code 20685119

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325523
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3SC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O2S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
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n/an/a 1.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325525
PNG
(2-((2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyet...)
Show SMILES COCCn1c(nc2c(c(Cc3nccs3)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H26F3N3O2S/c1-15(2)16-5-7-17(8-6-16)24-30-22-21(25(26,27)28)18(14-20-29-9-12-34-20)13-19(33-4)23(22)31(24)10-11-32-3/h5-9,12-13,15H,10-11,14H2,1-4H3
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325524
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3S(C)=O)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)38(5)35)16-22(37-4)25(24)34(26)13-14-36-3/h6-12,16-17H,13-15H2,1-5H3
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n/an/a 2.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325521
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325522
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3SC)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H30BrN3O2S/c1-17(2)18-8-10-19(11-9-18)26-30-24-23(28)21(15-20-7-6-12-29-27(20)34-5)16-22(33-4)25(24)31(26)13-14-32-3/h6-12,16-17H,13-15H2,1-5H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325519
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3S(C)=O)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H31BrN2O3S/c1-18(2)19-10-12-20(13-11-19)28-30-26-25(29)22(16-21-8-6-7-9-24(21)35(5)32)17-23(34-4)27(26)31(28)14-15-33-3/h6-13,17-18H,14-16H2,1-5H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325515
PNG
(5-benzyl-4-bromo-2-(4-isopropylphenyl)-7-methoxy-1...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccccc3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H29BrN2O2/c1-18(2)20-10-12-21(13-11-20)27-29-25-24(28)22(16-19-8-6-5-7-9-19)17-23(32-4)26(25)30(27)14-15-31-3/h5-13,17-18H,14-16H2,1-4H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325508
PNG
(5-bromo-4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(...)
Show SMILES COCCn1c(nc2c(I)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H22BrIN2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325509
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrF3N2O2/c1-12(2)13-5-7-14(8-6-13)20-26-18-17(22)15(21(23,24)25)11-16(29-4)19(18)27(20)9-10-28-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325498
PNG
(4-iodo-2-(4-isopropylphenyl)-7-methoxy-1-(2-methox...)
Show SMILES COCCn1c(nc2c(I)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23IN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325507
PNG
(4,5-dibromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-m...)
Show SMILES COCCn1c(nc2c(Br)c(Br)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H22Br2N2O2/c1-12(2)13-5-7-14(8-6-13)20-23-18-17(22)15(21)11-16(26-4)19(18)24(20)9-10-25-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325520
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H28BrN3O2/c1-17(2)19-7-9-20(10-8-19)26-29-24-23(27)21(14-18-6-5-11-28-16-18)15-22(32-4)25(24)30(26)12-13-31-3/h5-11,15-17H,12-14H2,1-4H3
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325510
PNG
(5-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(c(Br)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrF3N2O2/c1-12(2)13-5-7-14(8-6-13)20-26-18-17(21(23,24)25)15(22)11-16(29-4)19(18)27(20)9-10-28-3/h5-8,11-12H,9-10H2,1-4H3
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325497
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23BrN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325511
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)C#N)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H22BrN3O2/c1-13(2)14-5-7-15(8-6-14)21-24-19-18(22)16(12-23)11-17(27-4)20(19)25(21)9-10-26-3/h5-8,11,13H,9-10H2,1-4H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325516
PNG
(2-(4-isopropylphenyl)-7-methoxy-5-(2-methoxybenzyl...)
Show SMILES COCCn1c(nc2c(c(Cc3ccccc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H31F3N2O3/c1-18(2)19-10-12-20(13-11-19)28-33-26-25(29(30,31)32)22(16-21-8-6-7-9-23(21)36-4)17-24(37-5)27(26)34(28)14-15-35-3/h6-13,17-18H,14-16H2,1-5H3
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325517
PNG
(4-bromo-5-(3,4-dimethoxybenzyl)-2-(4-isopropylphen...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccc(OC)c(OC)c3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H33BrN2O4/c1-18(2)20-8-10-21(11-9-20)29-31-27-26(30)22(15-19-7-12-23(34-4)24(16-19)35-5)17-25(36-6)28(27)32(29)13-14-33-3/h7-12,16-18H,13-15H2,1-6H3
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n/an/a 43n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325496
PNG
(4-chloro-2-(4-isopropylphenyl)-7-methoxy-1-(2-meth...)
Show SMILES COCCn1c(nc2c(Cl)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23ClN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-16(21)9-10-17(25-4)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 50n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325499
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(ccc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H23F3N2O2/c1-13(2)14-5-7-15(8-6-14)20-25-18-16(21(22,23)24)9-10-17(28-4)19(18)26(20)11-12-27-3/h5-10,13H,11-12H2,1-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325514
PNG
(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(cc(OC)c12)-c1ccccc1)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C26H27BrN2O2/c1-17(2)18-10-12-20(13-11-18)26-28-24-23(27)21(19-8-6-5-7-9-19)16-22(31-4)25(24)29(26)14-15-30-3/h5-13,16-17H,14-15H2,1-4H3
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325503
PNG
(2-(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1H-benz...)
Show SMILES COc1ccc(Br)c2nc(-c3ccc(cc3)C(C)C)n(CCN(C)C)c12
Show InChI InChI=1S/C21H26BrN3O/c1-14(2)15-6-8-16(9-7-15)21-23-19-17(22)10-11-18(26-5)20(19)25(21)13-12-24(3)4/h6-11,14H,12-13H2,1-5H3
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325512
PNG
(4-bromo-5-ethyl-2-(4-isopropylphenyl)-7-methoxy-1-...)
Show SMILES CCc1cc(OC)c2n(CCOC)c(nc2c1Br)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H27BrN2O2/c1-6-15-13-18(27-5)21-20(19(15)23)24-22(25(21)11-12-26-4)17-9-7-16(8-10-17)14(2)3/h7-10,13-14H,6,11-12H2,1-5H3
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325504
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(C)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H26N2O2/c1-14(2)16-7-9-17(10-8-16)21-22-19-15(3)6-11-18(25-5)20(19)23(21)12-13-24-4/h6-11,14H,12-13H2,1-5H3
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325518
PNG
(4-bromo-5-(3,4-dimethylbenzyl)-2-(4-isopropylpheny...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3ccc(C)c(C)c3)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H33BrN2O2/c1-18(2)22-9-11-23(12-10-22)29-31-27-26(30)24(16-21-8-7-19(3)20(4)15-21)17-25(34-6)28(27)32(29)13-14-33-5/h7-12,15,17-18H,13-14,16H2,1-6H3
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325513
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2cc(cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H23F3N2O2/c1-13(2)14-5-7-15(8-6-14)20-25-17-11-16(21(22,23)24)12-18(28-4)19(17)26(20)9-10-27-3/h5-8,11-13H,9-10H2,1-4H3
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n/an/a 360n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325501
PNG
(7-chloro-2-(4-isopropylphenyl)-4-methoxy-1-(2-meth...)
Show SMILES COCCn1c(nc2c(OC)ccc(Cl)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H23ClN2O2/c1-13(2)14-5-7-15(8-6-14)20-22-18-17(25-4)10-9-16(21)19(18)23(20)11-12-24-3/h5-10,13H,11-12H2,1-4H3
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n/an/a 770n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325505
PNG
(2-(4-isopropylphenyl)-7-methoxy-4-methyl-1-propyl-...)
Show SMILES CCCn1c(nc2c(C)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H26N2O/c1-6-13-23-20-18(24-5)12-7-15(4)19(20)22-21(23)17-10-8-16(9-11-17)14(2)3/h7-12,14H,6,13H2,1-5H3
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n/an/a 790n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325502
PNG
(4,7-dibromo-2-(4-isopropylphenyl)-1-(2-methoxyethy...)
Show SMILES COCCn1c(nc2c(Br)ccc(Br)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C19H20Br2N2O/c1-12(2)13-4-6-14(7-5-13)19-22-17-15(20)8-9-16(21)18(17)23(19)10-11-24-3/h4-9,12H,10-11H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325500
PNG
(2-(4-isopropylphenyl)-4,7-dimethoxy-1-(2-methoxyet...)
Show SMILES COCCn1c(nc2c(OC)ccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H26N2O3/c1-14(2)15-6-8-16(9-7-15)21-22-19-17(25-4)10-11-18(26-5)20(19)23(21)12-13-24-3/h6-11,14H,12-13H2,1-5H3
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n/an/a 1.82E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325493
PNG
(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2cccc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H24N2O2/c1-14(2)15-8-10-16(11-9-15)20-21-17-6-5-7-18(24-4)19(17)22(20)12-13-23-3/h5-11,14H,12-13H2,1-4H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325495
PNG
(2-(4-isopropylphenyl)-4-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(OC)ccc(C)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H26N2O2/c1-14(2)16-7-9-17(10-8-16)21-22-19-18(25-5)11-6-15(3)20(19)23(21)12-13-24-4/h6-11,14H,12-13H2,1-5H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325490
PNG
(4-isopropyl-2-(4-isopropylphenyl)-1-(2-methoxyethy...)
Show SMILES COCCn1c(nc2c(cccc12)C(C)C)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H28N2O/c1-15(2)17-9-11-18(12-10-17)22-23-21-19(16(3)4)7-6-8-20(21)24(22)13-14-25-5/h6-12,15-16H,13-14H2,1-5H3
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n/an/a 1.95E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325494
PNG
(2-(4-isopropylphenyl)-1-(2-methoxyethyl)-7-methyl-...)
Show SMILES COCCn1c(nc2cccc(C)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C20H24N2O/c1-14(2)16-8-10-17(11-9-16)20-21-18-7-5-6-15(3)19(18)22(20)12-13-23-4/h5-11,14H,12-13H2,1-4H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325489
PNG
(1-butyl-4-isopropyl-2-(4-isopropylphenyl)-1H-benzo...)
Show SMILES CCCCn1c(nc2c(cccc12)C(C)C)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H30N2/c1-6-7-15-25-21-10-8-9-20(17(4)5)22(21)24-23(25)19-13-11-18(12-14-19)16(2)3/h8-14,16-17H,6-7,15H2,1-5H3
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n/an/a 2.55E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325491
PNG
(1-butyl-2-(4-isopropylphenyl)-4-methoxy-1H-benzo[d...)
Show SMILES CCCCn1c(nc2c(OC)cccc12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C21H26N2O/c1-5-6-14-23-18-8-7-9-19(24-4)20(18)22-21(23)17-12-10-16(11-13-17)15(2)3/h7-13,15H,5-6,14H2,1-4H3
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n/an/a 4.69E+3n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325506
PNG
(2-(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1H-benz...)
Show SMILES COc1ccc(Br)c2nc(-c3ccc(cc3)C(C)C)n(CC(=O)N(C)C)c12
Show InChI InChI=1S/C21H24BrN3O2/c1-13(2)14-6-8-15(9-7-14)21-23-19-16(22)10-11-17(27-5)20(19)25(21)12-18(26)24(3)4/h6-11,13H,12H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50325492
PNG
(2-(4-isopropylphenyl)-1-(2-methoxyethyl)-1H-benzo[...)
Show SMILES COCCn1c(nc2ccccc12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C19H22N2O/c1-14(2)15-8-10-16(11-9-15)19-20-17-6-4-5-7-18(17)21(19)12-13-22-3/h4-11,14H,12-13H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilization

Bioorg Med Chem Lett 20: 5161-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.016
BindingDB Entry DOI: 10.7270/Q2H70G1X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%