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Compile Data Set for Download or QSAR

Found 30 hits of ph data with Target = 'Calcium-sensing receptor (CaSR)'   
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
Calcium-sensing receptor (CaSR)


(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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n/an/a 200n/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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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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n/an/a 70n/an/an/an/a7.537



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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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n/an/a 340n/an/an/an/a7.537



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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
Calcium-sensing receptor (CaSR)


(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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n/an/a 150n/an/an/an/a7.537



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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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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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n/an/a 400n/an/an/an/a7.537



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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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



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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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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
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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n/an/a 150n/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
Calcium-sensing receptor (CaSR)


(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
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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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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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
Calcium-sensing receptor (CaSR)


(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
Calcium-sensing receptor (CaSR)


(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