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PubMed code 19143533

Compile data set for download or QSAR
Found 44 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))		BDBM28020
PNG
(6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-2-(2,6-di...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H28N4O6/c1-35-26-13-10-22(29(33-26)36-2)27-21(28(34)30-14-15-37-20-6-4-3-5-7-20)9-12-25(32-27)31-17-19-8-11-23-24(16-19)39-18-38-23/h3-13,16H,14-15,17-18H2,1-2H3,(H,30,34)(H,31,32)
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27985
PNG
(2-{[(3-chlorophenyl)methyl]amino}-N-(2-phenoxyethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H29ClN4O5/c1-36-24-15-20(16-25(37-2)27(24)38-3)26-23(28(35)31-12-13-39-22-10-5-4-6-11-22)18-33-29(34-26)32-17-19-8-7-9-21(30)14-19/h4-11,14-16,18H,12-13,17H2,1-3H3,(H,31,35)(H,32,33,34)
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28017
PNG
(6-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ccc1C(=O)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C32H35N3O6/c1-38-27-19-23(20-28(39-2)31(27)40-3)30-26(32(37)33-16-17-41-25-12-8-5-9-13-25)14-15-29(35-30)34-24(21-36)18-22-10-6-4-7-11-22/h4-15,19-20,24,36H,16-18,21H2,1-3H3,(H,33,37)(H,34,35)/t24-/m0/s1
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28019
PNG
(6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phen...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ccc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C31H31N3O7/c1-36-26-16-21(17-27(37-2)30(26)38-3)29-23(31(35)32-13-14-39-22-7-5-4-6-8-22)10-12-28(34-29)33-18-20-9-11-24-25(15-20)41-19-40-24/h4-12,15-17H,13-14,18-19H2,1-3H3,(H,32,35)(H,33,34)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28018
PNG
(2-(2,6-dimethoxypyridin-3-yl)-6-{[(2S)-1-hydroxy-3...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(N[C@H](CO)Cc2ccccc2)ccc1C(=O)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C30H32N4O5/c1-37-27-16-14-25(30(34-27)38-2)28-24(29(36)31-17-18-39-23-11-7-4-8-12-23)13-15-26(33-28)32-22(20-35)19-21-9-5-3-6-10-21/h3-16,22,35H,17-20H2,1-2H3,(H,31,36)(H,32,33)/t22-/m0/s1
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27998
PNG
(2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N[C@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-38-26-17-22(18-27(39-2)29(26)40-3)28-25(30(37)32-14-15-41-24-12-8-5-9-13-24)19-33-31(35-28)34-23(20-36)16-21-10-6-4-7-11-21/h4-13,17-19,23,36H,14-16,20H2,1-3H3,(H,32,37)(H,33,34,35)/t23-/m0/s1
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28014
PNG
(2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-[1-(4-c...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NC(C)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H28ClN5O5/c1-17(12-18-4-7-20(30)8-5-18)33-27(36)22-15-32-29(31-14-19-6-10-23-24(13-19)40-16-39-23)35-26(22)21-9-11-25(37-2)34-28(21)38-3/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,33,36)(H,31,32,35)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27988
PNG
(2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phen...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C30H30N4O7/c1-36-25-14-20(15-26(37-2)28(25)38-3)27-22(29(35)31-11-12-39-21-7-5-4-6-8-21)17-33-30(34-27)32-16-19-9-10-23-24(13-19)41-18-40-23/h4-10,13-15,17H,11-12,16,18H2,1-3H3,(H,31,35)(H,32,33,34)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28015
PNG
(6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5...)
Show SMILES CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C32H35N3O5/c1-5-35(22-23-12-8-6-9-13-23)29-17-16-26(32(36)33-18-19-40-25-14-10-7-11-15-25)30(34-29)24-20-27(37-2)31(39-4)28(21-24)38-3/h6-17,20-21H,5,18-19,22H2,1-4H3,(H,33,36)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28021
PNG
(6-{[(3-chlorophenyl)methyl]amino}-N-(2-phenoxyethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C30H30ClN3O5/c1-36-25-17-21(18-26(37-2)29(25)38-3)28-24(30(35)32-14-15-39-23-10-5-4-6-11-23)12-13-27(34-28)33-19-20-8-7-9-22(31)16-20/h4-13,16-18H,14-15,19H2,1-3H3,(H,32,35)(H,33,34)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28022
PNG
(6-{[(3-chlorophenyl)methyl]amino}-2-(2,6-dimethoxy...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(NCc2cccc(Cl)c2)ccc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C28H27ClN4O4/c1-35-25-14-12-23(28(33-25)36-2)26-22(27(34)30-15-16-37-21-9-4-3-5-10-21)11-13-24(32-26)31-18-19-7-6-8-20(29)17-19/h3-14,17H,15-16,18H2,1-2H3,(H,30,34)(H,31,32)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27979
PNG
(2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H34N4O5/c1-5-35(21-22-12-8-6-9-13-22)31-33-20-25(30(36)32-16-17-40-24-14-10-7-11-15-24)28(34-31)23-18-26(37-2)29(39-4)27(19-23)38-3/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,32,36)
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28012
PNG
(2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-4-(2,6-di...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C28H27N5O6/c1-35-24-11-9-20(27(32-24)36-2)25-21(26(34)29-12-13-37-19-6-4-3-5-7-19)16-31-28(33-25)30-15-18-8-10-22-23(14-18)39-17-38-22/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,29,34)(H,30,31,33)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27993
PNG
(2-{[2-(2-methoxyphenyl)ethyl]amino}-N-(2-phenoxyet...)
Show SMILES COc1ccccc1CCNc1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H34N4O6/c1-37-25-13-9-8-10-21(25)14-15-33-31-34-20-24(30(36)32-16-17-41-23-11-6-5-7-12-23)28(35-31)22-18-26(38-2)29(40-4)27(19-22)39-3/h5-13,18-20H,14-17H2,1-4H3,(H,32,36)(H,33,34,35)
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27987
PNG
(2-{[(3-methoxyphenyl)methyl]amino}-N-(2-phenoxyeth...)
Show SMILES COc1cccc(CNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C30H32N4O6/c1-36-23-12-8-9-20(15-23)18-32-30-33-19-24(29(35)31-13-14-40-22-10-6-5-7-11-22)27(34-30)21-16-25(37-2)28(39-4)26(17-21)38-3/h5-12,15-17,19H,13-14,18H2,1-4H3,(H,31,35)(H,32,33,34)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28011
PNG
(2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-y...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(OC)nc1OC
Show InChI InChI=1S/C29H31N5O4/c1-4-34(20-21-11-7-5-8-12-21)29-31-19-24(27(35)30-17-18-38-22-13-9-6-10-14-22)26(33-29)23-15-16-25(36-2)32-28(23)37-3/h5-16,19H,4,17-18,20H2,1-3H3,(H,30,35)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28013
PNG
(N-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2,6-dimethoxy...)
Show SMILES COc1ccc(c(OC)n1)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C29H27N5O5/c1-36-25-10-8-21(27(32-25)37-2)26-22(28(35)34-12-11-19-5-3-4-6-20(19)16-34)15-31-29(33-26)30-14-18-7-9-23-24(13-18)39-17-38-23/h3-10,13,15H,11-12,14,16-17H2,1-2H3,(H,30,31,33)
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Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27991
PNG
(N-(2-phenoxyethyl)-2-[(2-phenylethyl)amino]-4-(3,4...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C30H32N4O5/c1-36-25-18-22(19-26(37-2)28(25)38-3)27-24(29(35)31-16-17-39-23-12-8-5-9-13-23)20-33-30(34-27)32-15-14-21-10-6-4-7-11-21/h4-13,18-20H,14-17H2,1-3H3,(H,31,35)(H,32,33,34)
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Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27982
PNG
(2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-(3,4,...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C30H32N4O5/c1-34(20-21-11-7-5-8-12-21)30-32-19-24(29(35)31-15-16-39-23-13-9-6-10-14-23)27(33-30)22-17-25(36-2)28(38-4)26(18-22)37-3/h5-14,17-19H,15-16,20H2,1-4H3,(H,31,35)
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n/an/a 470n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27981
PNG
(2-(benzylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H30N4O5/c1-35-24-16-21(17-25(36-2)27(24)37-3)26-23(28(34)30-14-15-38-22-12-8-5-9-13-22)19-32-29(33-26)31-18-20-10-6-4-7-11-20/h4-13,16-17,19H,14-15,18H2,1-3H3,(H,30,34)(H,31,32,33)
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n/an/a 730n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27994
PNG
(2-{[2-(3-methoxyphenyl)ethyl]amino}-N-(2-phenoxyet...)
Show SMILES COc1cccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C31H34N4O6/c1-37-24-12-8-9-21(17-24)13-14-33-31-34-20-25(30(36)32-15-16-41-23-10-6-5-7-11-23)28(35-31)22-18-26(38-2)29(40-4)27(19-22)39-3/h5-12,17-20H,13-16H2,1-4H3,(H,32,36)(H,33,34,35)
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n/an/a 1.00E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28016
PNG
(6-[benzyl(ethyl)amino]-2-(2,6-dimethoxypyridin-3-y...)
Show SMILES CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(OC)nc1OC
Show InChI InChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27992
PNG
(2-[methyl(2-phenylethyl)amino]-N-(2-phenoxyethyl)-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)CCc1ccccc1
Show InChI InChI=1S/C31H34N4O5/c1-35(17-15-22-11-7-5-8-12-22)31-33-21-25(30(36)32-16-18-40-24-13-9-6-10-14-24)28(34-31)23-19-26(37-2)29(39-4)27(20-23)38-3/h5-14,19-21H,15-18H2,1-4H3,(H,32,36)
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n/an/a 1.50E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28004
PNG
(2-[benzyl(ethyl)amino]-N-(4-phenylbutyl)-4-(3,4,5-...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C33H38N4O4/c1-5-37(23-25-17-10-7-11-18-25)33-35-22-27(32(38)34-19-13-12-16-24-14-8-6-9-15-24)30(36-33)26-20-28(39-2)31(41-4)29(21-26)40-3/h6-11,14-15,17-18,20-22H,5,12-13,16,19,23H2,1-4H3,(H,34,38)
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n/an/a 1.80E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28003
PNG
(2-[benzyl(ethyl)amino]-N-(3-phenylpropyl)-4-(3,4,5...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C32H36N4O4/c1-5-36(22-24-15-10-7-11-16-24)32-34-21-26(31(37)33-18-12-17-23-13-8-6-9-14-23)29(35-32)25-19-27(38-2)30(40-4)28(20-25)39-3/h6-11,13-16,19-21H,5,12,17-18,22H2,1-4H3,(H,33,37)
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n/an/a 2.10E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27980
PNG
(2-[(3-methylbutyl)amino]-N-(2-phenoxyethyl)-4-(3,4...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCCC(C)C)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C27H34N4O5/c1-18(2)11-12-29-27-30-17-21(26(32)28-13-14-36-20-9-7-6-8-10-20)24(31-27)19-15-22(33-3)25(35-5)23(16-19)34-4/h6-10,15-18H,11-14H2,1-5H3,(H,28,32)(H,29,30,31)
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n/an/a 2.20E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27995
PNG
(2-{[2-(4-methoxyphenyl)ethyl]amino}-N-(2-phenoxyet...)
Show SMILES COc1ccc(CCNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C31H34N4O6/c1-37-23-12-10-21(11-13-23)14-15-33-31-34-20-25(30(36)32-16-17-41-24-8-6-5-7-9-24)28(35-31)22-18-26(38-2)29(40-4)27(19-22)39-3/h5-13,18-20H,14-17H2,1-4H3,(H,32,36)(H,33,34,35)
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n/an/a 2.80E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27986
PNG
(2-{[(4-methoxyphenyl)methyl]amino}-N-(2-phenoxyeth...)
Show SMILES COc1ccc(CNc2ncc(C(=O)NCCOc3ccccc3)c(n2)-c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C30H32N4O6/c1-36-22-12-10-20(11-13-22)18-32-30-33-19-24(29(35)31-14-15-40-23-8-6-5-7-9-23)27(34-30)21-16-25(37-2)28(39-4)26(17-21)38-3/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,31,35)(H,32,33,34)
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n/an/a 3.10E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27983
PNG
(2-{[(2-chlorophenyl)methyl]amino}-N-(2-phenoxyethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2Cl)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H29ClN4O5/c1-36-24-15-20(16-25(37-2)27(24)38-3)26-22(28(35)31-13-14-39-21-10-5-4-6-11-21)18-33-29(34-26)32-17-19-9-7-8-12-23(19)30/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a 4.90E+3n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28009
PNG
(2-[benzyl(methyl)amino]-4-(3,4-dimethoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1OC)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H30N4O4/c1-33(20-21-10-6-4-7-11-21)29-31-19-24(28(34)30-16-17-37-23-12-8-5-9-13-23)27(32-29)22-14-15-25(35-2)26(18-22)36-3/h4-15,18-19H,16-17,20H2,1-3H3,(H,30,34)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27984
PNG
(2-{[(2-methylphenyl)methyl]amino}-N-(2-phenoxyethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccc2C)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C30H32N4O5/c1-20-10-8-9-11-21(20)18-32-30-33-19-24(29(35)31-14-15-39-23-12-6-5-7-13-23)27(34-30)22-16-25(36-2)28(38-4)26(17-22)37-3/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,31,35)(H,32,33,34)
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n/an/a 1.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28008
PNG
(2-[benzyl(methyl)amino]-N-(2-phenoxyethyl)-4-[4-(t...)
Show SMILES CN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H25F3N4O2/c1-35(19-20-8-4-2-5-9-20)27-33-18-24(26(36)32-16-17-37-23-10-6-3-7-11-23)25(34-27)21-12-14-22(15-13-21)28(29,30)31/h2-15,18H,16-17,19H2,1H3,(H,32,36)
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n/an/a 1.89E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28006
PNG
(2-[benzyl(methyl)amino]-4-(3-methoxyphenyl)-N-(2-p...)
Show SMILES COc1cccc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-32(20-21-10-5-3-6-11-21)28-30-19-25(26(31-28)22-12-9-15-24(18-22)34-2)27(33)29-16-17-35-23-13-7-4-8-14-23/h3-15,18-19H,16-17,20H2,1-2H3,(H,29,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28005
PNG
(2-[benzyl(methyl)amino]-4-(2-methoxyphenyl)-N-(2-p...)
Show SMILES COc1ccccc1-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-32(20-21-11-5-3-6-12-21)28-30-19-24(26(31-28)23-15-9-10-16-25(23)34-2)27(33)29-17-18-35-22-13-7-4-8-14-22/h3-16,19H,17-18,20H2,1-2H3,(H,29,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28002
PNG
(2-[benzyl(ethyl)amino]-N-(2-phenylethyl)-4-(3,4,5-...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCc2ccccc2)c(n1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H34N4O4/c1-5-35(21-23-14-10-7-11-15-23)31-33-20-25(30(36)32-17-16-22-12-8-6-9-13-22)28(34-31)24-18-26(37-2)29(39-4)27(19-24)38-3/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,32,36)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27997
PNG
(N-(2-phenoxyethyl)-2-{[2-(pyridin-3-yl)ethyl]amino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCCc2cccnc2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H31N5O5/c1-36-24-16-21(17-25(37-2)27(24)38-3)26-23(28(35)31-14-15-39-22-9-5-4-6-10-22)19-33-29(34-26)32-13-11-20-8-7-12-30-18-20/h4-10,12,16-19H,11,13-15H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27996
PNG
(N-(2-phenoxyethyl)-2-{[2-(pyridin-2-yl)ethyl]amino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCCc2ccccn2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C29H31N5O5/c1-36-24-17-20(18-25(37-2)27(24)38-3)26-23(28(35)31-15-16-39-22-10-5-4-6-11-22)19-33-29(34-26)32-14-12-21-9-7-8-13-30-21/h4-11,13,17-19H,12,14-16H2,1-3H3,(H,31,35)(H,32,33,34)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28007
PNG
(2-[benzyl(methyl)amino]-4-(4-methoxyphenyl)-N-(2-p...)
Show SMILES COc1ccc(cc1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C28H28N4O3/c1-32(20-21-9-5-3-6-10-21)28-30-19-25(26(31-28)22-13-15-23(34-2)16-14-22)27(33)29-17-18-35-24-11-7-4-8-12-24/h3-16,19H,17-18,20H2,1-2H3,(H,29,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27999
PNG
(2-{[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino}-N-(2...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N[C@@H](CO)Cc2ccccc2)ncc1C(=O)NCCOc1ccccc1 |r|
Show InChI InChI=1S/C31H34N4O6/c1-38-26-17-22(18-27(39-2)29(26)40-3)28-25(30(37)32-14-15-41-24-12-8-5-9-13-24)19-33-31(35-28)34-23(20-36)16-21-10-6-4-7-11-21/h4-13,17-19,23,36H,14-16,20H2,1-3H3,(H,32,37)(H,33,34,35)/t23-/m1/s1
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27989
PNG
(N-(2-phenoxyethyl)-2-[(pyridin-2-ylmethyl)amino]-4...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccccn2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C28H29N5O5/c1-35-23-15-19(16-24(36-2)26(23)37-3)25-22(27(34)30-13-14-38-21-10-5-4-6-11-21)18-32-28(33-25)31-17-20-9-7-8-12-29-20/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,30,34)(H,31,32,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28001
PNG
(2-[benzyl(ethyl)amino]-4-cyclohexyl-N-(2-phenoxyet...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)C1CCCCC1
Show InChI InChI=1S/C28H34N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3,5-7,10-13,16-17,20,23H,2,4,8-9,14-15,18-19,21H2,1H3,(H,29,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM27990
PNG
(N-(2-phenoxyethyl)-2-[(pyridin-3-ylmethyl)amino]-4...)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2cccnc2)ncc1C(=O)NCCOc1ccccc1
Show InChI InChI=1S/C28H29N5O5/c1-35-23-14-20(15-24(36-2)26(23)37-3)25-22(27(34)30-12-13-38-21-9-5-4-6-10-21)18-32-28(33-25)31-17-19-8-7-11-29-16-19/h4-11,14-16,18H,12-13,17H2,1-3H3,(H,30,34)(H,31,32,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28010
PNG
(2-[benzyl(methyl)amino]-4-(3,5-dimethoxyphenyl)-N-...)
Show SMILES COc1cc(OC)cc(c1)-c1nc(ncc1C(=O)NCCOc1ccccc1)N(C)Cc1ccccc1
Show InChI InChI=1S/C29H30N4O4/c1-33(20-21-10-6-4-7-11-21)29-31-19-26(28(34)30-14-15-37-23-12-8-5-9-13-23)27(32-29)22-16-24(35-2)18-25(17-22)36-3/h4-13,16-19H,14-15,20H2,1-3H3,(H,30,34)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM28000
PNG
(2-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-4-phenyl...)
Show SMILES CCN(Cc1ccccc1)c1ncc(C(=O)NCCOc2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C28H28N4O2/c1-2-32(21-22-12-6-3-7-13-22)28-30-20-25(26(31-28)23-14-8-4-9-15-23)27(33)29-18-19-34-24-16-10-5-11-17-24/h3-17,20H,2,18-19,21H2,1H3,(H,29,33)
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n/an/a>3.00E+4n/an/an/an/a7.537



Bristol-Myers Squibb Company



Assay Description
Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...

J Med Chem 52: 1204-8 (2009)


Article DOI: 10.1021/jm801178c
BindingDB Entry DOI: 10.7270/Q2416VCR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%