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PubMed code 19835382

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



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299677
PNG
((1R)-N-((1R)-1-phenylethyl)-1-(1-(4-(trifluorometh...)
Show SMILES CC[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N3/c1-3-19(25-15(2)16-7-5-4-6-8-16)20-13-14-27(26-20)18-11-9-17(10-12-18)21(22,23)24/h4-15,19,25H,3H2,1-2H3/t15-,19-/m1/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299675
PNG
((1R)-1-phenyl-N-((1-phenyl-1H-pyrazol-3-yl)methyl)...)
Show SMILES C[C@@H](NCc1ccn(n1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3/c1-15(16-8-4-2-5-9-16)19-14-17-12-13-21(20-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3/t15-/m1/s1
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n/an/an/an/a 1.58E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


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



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


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



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


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



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299672
PNG
((R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)...)
Show SMILES C[C@@H](NCc1cnc(s1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-17-13-20-18(21-17)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299674
PNG
((R)-1-phenyl-N-((4-phenyl-1,3-thiazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(cs1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299671
PNG
((R)-N-((1-methyl-4-phenyl-1H-imidazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(c[nH]1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H19N3/c1-14(15-8-4-2-5-9-15)19-13-18-20-12-17(21-18)16-10-6-3-7-11-16/h2-12,14,19H,13H2,1H3,(H,20,21)/t14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299676
PNG
((1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phe...)
Show SMILES C[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N3/c1-14(16-6-4-3-5-7-16)24-15(2)19-12-13-26(25-19)18-10-8-17(9-11-18)20(21,22)23/h3-15,24H,1-2H3/t14-,15-/m1/s1
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n/an/an/an/a 233n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299679
PNG
((1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)...)
Show SMILES C[C@@H](N[C@H](C)c1cccc(F)c1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19F4N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 148n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299670
PNG
((R)-3-(2-chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl...)
Show SMILES COc1cccc(c1)[C@@H](C)NCCCc1ccccc1Cl |r|
Show InChI InChI=1S/C18H22ClNO/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3/t14-/m1/s1
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n/an/an/an/a 194n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299673
PNG
((R)-1-phenyl-N-((4-phenyl-1,3-oxazol-2-yl)methyl)e...)
Show SMILES C[C@@H](NCc1nc(co1)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C18H18N2O/c1-14(15-8-4-2-5-9-15)19-12-18-20-17(13-21-18)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299680
PNG
((1R)-1-(3-chlorophenyl)-N-((1-(4-(trifluoromethyl)...)
Show SMILES C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N3/c1-13(15-4-3-5-17(21)12-15)25-14(2)19-10-11-27(26-19)18-8-6-16(7-9-18)20(22,23)24/h3-14,25H,1-2H3/t13-,14-/m1/s1
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n/an/an/an/a 92n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299686
PNG
((R)-1-(1-(4-(1H-tetrazol-5-yl)phenyl)-5-methoxy-1H...)
Show SMILES COc1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN7O/c1-13(16-5-4-6-17(22)11-16)23-14(2)19-12-20(30-3)29(26-19)18-9-7-15(8-10-18)21-24-27-28-25-21/h4-14,23H,1-3H3,(H,24,25,27,28)/t13-,14-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299678
PNG
((1R)-2-methyl-N-((1R)-1-phenylethyl)-1-(1-(4-(trif...)
Show SMILES CC(C)[C@@H](N[C@H](C)c1ccccc1)c1ccn(n1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C22H24F3N3/c1-15(2)21(26-16(3)17-7-5-4-6-8-17)20-13-14-28(27-20)19-11-9-18(10-12-19)22(23,24)25/h4-16,21,26H,1-3H3/t16-,21-/m1/s1
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n/an/an/an/a 2.34E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299685
PNG
(4-(3-((R)-1-((R)-1-(3-chlorophenyl)ethylamino)ethy...)
Show SMILES COc1cc(nn1-c1ccc(cc1)C(O)=O)[C@@H](C)N[C@H](C)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClN3O3/c1-13(16-5-4-6-17(22)11-16)23-14(2)19-12-20(28-3)25(24-19)18-9-7-15(8-10-18)21(26)27/h4-14,23H,1-3H3,(H,26,27)/t13-,14-/m1/s1
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n/an/an/an/a 1.92E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50299669
PNG
((R)-1-phenyl-N-((4-phenyl-1H-imidazol-2-yl)methyl)...)
Show SMILES C[C@@H](NCc1nc(cn1C)-c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H21N3/c1-15(16-9-5-3-6-10-16)20-13-19-21-18(14-22(19)2)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3/t15-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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

J Med Chem 52: 6535-8 (2009)


Article DOI: 10.1021/jm9012278
BindingDB Entry DOI: 10.7270/Q28052PS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%