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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'kneissel' and Initial = 'm'   
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))		BDBM50308093
PNG
(1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=S)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H28N2O3S/c1-4-15-33-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(35)31(27)19-21-6-5-7-24(17-21)34-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
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n/an/a 0.400n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308090
PNG
(1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-pheny...)
Show SMILES CCOc1cc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)ccc1OC
Show InChI InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
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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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))		BDBM50308081
PNG
(4-(4-Isopropyl-phenyl)-1-(4-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(C)cc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-16-32-24-14-15-26-25(17-24)27(23-12-10-22(11-13-23)19(2)3)29-28(31)30(26)18-21-8-6-20(4)7-9-21/h1,6-15,17,19H,16,18H2,2-4H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308087
PNG
(4-(4-Isopropyl-phenyl)-1-(3-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(C)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-15-32-24-13-14-26-25(17-24)27(23-11-9-22(10-12-23)19(2)3)29-28(31)30(26)18-21-8-6-7-20(4)16-21/h1,6-14,16-17,19H,15,18H2,2-4H3
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n/an/a 1.80n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308103
PNG
(CHEMBL590539 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(NC(=O)CN3CCN(C)CC3)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C34H37N5O3/c1-5-19-42-29-13-14-31-30(21-29)33(27-11-9-26(10-12-27)24(2)3)36-34(41)39(31)22-25-7-6-8-28(20-25)35-32(40)23-38-17-15-37(4)16-18-38/h1,6-14,20-21,24H,15-19,22-23H2,2-4H3,(H,35,40)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308108
PNG
(1-Benzyl-5-cyclopropylmethyl-6-hydroxy-4-(4-isopro...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC3CC3)c12
Show InChI InChI=1S/C28H28N2O2/c1-18(2)21-10-12-22(13-11-21)27-26-23(16-19-8-9-19)25(31)15-14-24(26)30(28(32)29-27)17-20-6-4-3-5-7-20/h3-7,10-15,18-19,31H,8-9,16-17H2,1-2H3
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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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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))		BDBM50308089
PNG
(1-(3-Methoxy-benzyl)-4-(4-isopropyl-phenyl)-6-prop...)
Show SMILES COc1cccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)c1
Show InChI InChI=1S/C28H26N2O3/c1-5-15-33-24-13-14-26-25(17-24)27(22-11-9-21(10-12-22)19(2)3)29-28(31)30(26)18-20-7-6-8-23(16-20)32-4/h1,6-14,16-17,19H,15,18H2,2-4H3
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n/an/a 2.70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308091
PNG
(CHEMBL597194 | {3-[4-(4-Isopropyl-phenyl)-2-oxo-6-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCC(O)=O)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H26N2O5/c1-4-14-35-24-12-13-26-25(16-24)28(22-10-8-21(9-11-22)19(2)3)30-29(34)31(26)17-20-6-5-7-23(15-20)36-18-27(32)33/h1,5-13,15-16,19H,14,17-18H2,2-3H3,(H,32,33)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308106
PNG
(5-Allyl-1-benzyl-6-hydroxy-4-(4-isopropyl-phenyl)-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC=C)c12
Show InChI InChI=1S/C27H26N2O2/c1-4-8-22-24(30)16-15-23-25(22)26(21-13-11-20(12-14-21)18(2)3)28-27(31)29(23)17-19-9-6-5-7-10-19/h4-7,9-16,18,30H,1,8,17H2,2-3H3
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n/an/a 3.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		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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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))		BDBM50308082
PNG
(1-(4-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propar...)
Show SMILES CCc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C29H28N2O2/c1-5-17-33-25-15-16-27-26(18-25)28(24-13-11-23(12-14-24)20(3)4)30-29(32)31(27)19-22-9-7-21(6-2)8-10-22/h1,7-16,18,20H,6,17,19H2,2-4H3
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n/an/a 4.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308084
PNG
(4-(4-Isopropyl-phenyl)-1-(4-methoxy-benzyl)-6-prop...)
Show SMILES COc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C28H26N2O3/c1-5-16-33-24-14-15-26-25(17-24)27(22-10-8-21(9-11-22)19(2)3)29-28(31)30(26)18-20-6-12-23(32-4)13-7-20/h1,6-15,17,19H,16,18H2,2-4H3
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n/an/a 4.20n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308080
PNG
(1-Benzyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3
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n/an/a 4.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308107
PNG
(1-Benzyl-6-hydroxy-4-(4-isopropyl-phenyl)-5-propyl...)
Show SMILES CCCc1c(O)ccc2n(Cc3ccccc3)c(=O)nc(-c3ccc(cc3)C(C)C)c12
Show InChI InChI=1S/C27H28N2O2/c1-4-8-22-24(30)16-15-23-25(22)26(21-13-11-20(12-14-21)18(2)3)28-27(31)29(23)17-19-9-6-5-7-10-19/h5-7,9-16,18,30H,4,8,17H2,1-3H3
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n/an/a 6.60n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308092
PNG
(1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H28N2O4/c1-4-15-34-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(33)31(27)19-21-6-5-7-24(17-21)35-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
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n/an/a 7.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308105
PNG
(2-[4-(3-Dimethylamino-propyl)piperazin-1-yl]-N-{3-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(NC(=O)CN3CCN(CCCN(C)C)CC3)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C38H46N6O3/c1-6-23-47-33-15-16-35-34(25-33)37(31-13-11-30(12-14-31)28(2)3)40-38(46)44(35)26-29-9-7-10-32(24-29)39-36(45)27-43-21-19-42(20-22-43)18-8-17-41(4)5/h1,7,9-16,24-25,28H,8,17-23,26-27H2,2-5H3,(H,39,45)
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n/an/a 8.10n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308078
PNG
(1-Isopropyl-4-(4-isopropyl-phenyl)-6-propargyloxy-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C23H24N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16H,13H2,2-5H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308086
PNG
(CHEMBL603248 | {4-[4-(4-Isopropyl-phenyl)-2-oxo-6-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(OCC(O)=O)cc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H26N2O5/c1-4-15-35-24-13-14-26-25(16-24)28(22-9-7-21(8-10-22)19(2)3)30-29(34)31(26)17-20-5-11-23(12-6-20)36-18-27(32)33/h1,5-14,16,19H,15,17-18H2,2-3H3,(H,32,33)
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n/an/a 12.6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308104
PNG
(CHEMBL590552 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...)
Show SMILES COCCN1CCN(CC(=O)Nc2cccc(Cn3c4ccc(OCC#C)cc4c(nc3=O)-c3ccc(cc3)C(C)C)c2)CC1
Show InChI InChI=1S/C36H41N5O4/c1-5-20-45-31-13-14-33-32(23-31)35(29-11-9-28(10-12-29)26(2)3)38-36(43)41(33)24-27-7-6-8-30(22-27)37-34(42)25-40-17-15-39(16-18-40)19-21-44-4/h1,6-14,22-23,26H,15-21,24-25H2,2-4H3,(H,37,42)
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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 CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308088
PNG
(1-(3-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propar...)
Show SMILES CCc1cccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)c1
Show InChI InChI=1S/C29H28N2O2/c1-5-16-33-25-14-15-27-26(18-25)28(24-12-10-23(11-13-24)20(3)4)30-29(32)31(27)19-22-9-7-8-21(6-2)17-22/h1,7-15,17-18,20H,6,16,19H2,2-4H3
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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 CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308085
PNG
(1-(4-Ethoxy-benzyl)-4-(4-isopropyl-phenyl)-6-propa...)
Show SMILES CCOc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C29H28N2O3/c1-5-17-34-25-15-16-27-26(18-25)28(23-11-9-22(10-12-23)20(3)4)30-29(32)31(27)19-21-7-13-24(14-8-21)33-6-2/h1,7-16,18,20H,6,17,19H2,2-4H3
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308083
PNG
(1-(4-Isopropyl-benzyl)-4-(4-isopropyl-phenyl)-6-pr...)
Show SMILES CC(C)c1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C30H30N2O2/c1-6-17-34-26-15-16-28-27(18-26)29(25-13-11-24(12-14-25)21(4)5)31-30(33)32(28)19-22-7-9-23(10-8-22)20(2)3/h1,7-16,18,20-21H,17,19H2,2-5H3
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308100
PNG
(6-(Propargylamino)-1-isopropyl-4-(4-isopropyl-phen...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(NCC#C)cc12
Show InChI InChI=1S/C23H25N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16,24H,13H2,2-5H3
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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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n/an/a 51n/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))		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))		BDBM50308098
PNG
(6-Allylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1H...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(NCC=C)cc12
Show InChI InChI=1S/C23H27N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16,24H,1,13H2,2-5H3
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308101
PNG
(6-Dipropargylamino-1-isopropyl-4-(4-isopropyl-phen...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(cc12)N(CC#C)CC#C
Show InChI InChI=1S/C26H27N3O/c1-7-15-28(16-8-2)22-13-14-24-23(17-22)25(27-26(30)29(24)19(5)6)21-11-9-20(10-12-21)18(3)4/h1-2,9-14,17-19H,15-16H2,3-6H3
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308079
PNG
(6-But-2-ynyloxy-1-isopropyl-4-(4-isopropyl-phenyl)...)
Show SMILES CC#CCOc1ccc2n(C(C)C)c(=O)nc(-c3ccc(cc3)C(C)C)c2c1
Show InChI InChI=1S/C24H26N2O2/c1-6-7-14-28-20-12-13-22-21(15-20)23(25-24(27)26(22)17(4)5)19-10-8-18(9-11-19)16(2)3/h8-13,15-17H,14H2,1-5H3
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n/an/a 170n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50308076
PNG
(6-Allyloxy-1-isopropyl-4-(4-isopropyl-phenyl)-1H-q...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(OCC=C)cc12
Show InChI InChI=1S/C23H26N2O2/c1-6-13-27-19-11-12-21-20(14-19)22(24-23(26)25(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h6-12,14-16H,1,13H2,2-5H3
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n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
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))		BDBM50308099
PNG
(6-(Allyl-methyl-amino)-1-isopropyl-4-(4-isopropyl-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(C(C)C)c2ccc(cc12)N(C)CC=C
Show InChI InChI=1S/C24H29N3O/c1-7-14-26(6)20-12-13-22-21(15-20)23(25-24(28)27(22)17(4)5)19-10-8-18(9-11-19)16(2)3/h7-13,15-17H,1,14H2,2-6H3
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n/an/a 230n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...

J Med Chem 53: 2250-63 (2010)


Article DOI: 10.1021/jm901811v
BindingDB Entry DOI: 10.7270/Q2Q240BT
More data for this
Ligand-Target Pair
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