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PubMed code 15863312

Compile data set for download or QSAR
Found 17 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
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50161093
PNG
((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N |r|
Show InChI InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166511
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES CC(C)c1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O
Show InChI InChI=1S/C22H23FN2O2/c1-14(2)20-15(3)24-21(18-9-4-5-10-19(18)26)25(22(20)27)12-11-16-7-6-8-17(23)13-16/h4-10,13-14,26H,11-12H2,1-3H3
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n/an/a 95n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166504
PNG
(5-Ethyl-3-[2-(2-fluoro-phenyl)-ethyl]-2-(2-hydroxy...)
Show SMILES CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O
Show InChI InChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,25H,3,12-13H2,1-2H3
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n/an/a 97n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166510
PNG
(5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-...)
Show SMILES CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O2/c1-3-17-15(2)22-20(18-11-7-8-12-19(18)24)23(21(17)25)14-13-16-9-5-4-6-10-16/h4-12,24H,3,13-14H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166517
PNG
(5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-h...)
Show SMILES Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1
Show InChI InChI=1S/C22H21FN2O2/c1-14-20(16-9-10-16)22(27)25(12-11-15-5-4-6-17(23)13-15)21(24-14)18-7-2-3-8-19(18)26/h2-8,13,16,26H,9-12H2,1H3
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n/an/a 120n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166507
PNG
(2-(2-Hydroxy-phenyl)-3-phenethyl-4a,5,6,7,8,8a-hex...)
Show SMILES Oc1ccccc1C1=NC2CCCCC2C(=O)N1CCc1ccccc1 |t:8|
Show InChI InChI=1S/C22H24N2O2/c25-20-13-7-5-11-18(20)21-23-19-12-6-4-10-17(19)22(26)24(21)15-14-16-8-2-1-3-9-16/h1-3,5,7-9,11,13,17,19,25H,4,6,10,12,14-15H2
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n/an/a 140n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166503
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES CCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O
Show InChI InChI=1S/C22H23FN2O2/c1-3-7-18-15(2)24-21(19-10-4-5-11-20(19)26)25(22(18)27)13-12-16-8-6-9-17(23)14-16/h4-6,8-11,14,26H,3,7,12-13H2,1-2H3
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n/an/a 140n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166505
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Oc1ccccc1C1=NC2CCCCC2C(=O)N1CCc1cccc(F)c1 |t:8|
Show InChI InChI=1S/C22H23FN2O2/c23-16-7-5-6-15(14-16)12-13-25-21(18-9-2-4-11-20(18)26)24-19-10-3-1-8-17(19)22(25)27/h2,4-7,9,11,14,17,19,26H,1,3,8,10,12-13H2
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n/an/a 160n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166512
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C
Show InChI InChI=1S/C20H19FN2O2/c1-13-14(2)22-19(17-8-3-4-9-18(17)24)23(20(13)25)11-10-15-6-5-7-16(21)12-15/h3-9,12,24H,10-11H2,1-2H3
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n/an/a 170n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166514
PNG
(2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-p...)
Show SMILES Cc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1C
Show InChI InChI=1S/C20H20N2O2/c1-14-15(2)21-19(17-10-6-7-11-18(17)23)22(20(14)24)13-12-16-8-4-3-5-9-16/h3-11,23H,12-13H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166508
PNG
(2-(2-Hydroxy-phenyl)-3-phenethyl-3,4a,5,6,7,7a-hex...)
Show SMILES Oc1ccccc1C1=NC2CCCC2C(=O)N1CCc1ccccc1 |t:8|
Show InChI InChI=1S/C21H22N2O2/c24-19-12-5-4-9-17(19)20-22-18-11-6-10-16(18)21(25)23(20)14-13-15-7-2-1-3-8-15/h1-5,7-9,12,16,18,24H,6,10-11,13-14H2
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n/an/a 200n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166509
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Oc1ccccc1C1=NC2CCCC2C(=O)N1CCc1cccc(F)c1 |t:8|
Show InChI InChI=1S/C21H21FN2O2/c22-15-6-3-5-14(13-15)11-12-24-20(17-7-1-2-10-19(17)25)23-18-9-4-8-16(18)21(24)26/h1-3,5-7,10,13,16,18,25H,4,8-9,11-12H2
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n/an/a 200n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166516
PNG
(2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-triflu...)
Show SMILES Cc1c(nc(-c2ccccc2O)n(CCc2ccccc2)c1=O)C(F)(F)F
Show InChI InChI=1S/C20H17F3N2O2/c1-13-17(20(21,22)23)24-18(15-9-5-6-10-16(15)26)25(19(13)27)12-11-14-7-3-2-4-8-14/h2-10,26H,11-12H2,1H3
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n/an/a 800n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166506
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Cc1cc(=O)n(CCc2cccc(F)c2)c(n1)-c1ccccc1O
Show InChI InChI=1S/C19H17FN2O2/c1-13-11-18(24)22(10-9-14-5-4-6-15(20)12-14)19(21-13)16-7-2-3-8-17(16)23/h2-8,11-12,23H,9-10H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166515
PNG
(3-[2-(2-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Cc1cc(=O)n(CCc2ccccc2F)c(n1)-c1ccccc1O
Show InChI InChI=1S/C19H17FN2O2/c1-13-12-18(24)22(11-10-14-6-2-4-8-16(14)20)19(21-13)15-7-3-5-9-17(15)23/h2-9,12,23H,10-11H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50166513
PNG
(2-(2-Hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrim...)
Show SMILES Cc1cc(=O)n(CCc2ccccc2)c(n1)-c1ccccc1O
Show InChI InChI=1S/C19H18N2O2/c1-14-13-18(23)21(12-11-15-7-3-2-4-8-15)19(20-14)16-9-5-6-10-17(16)22/h2-10,13,22H,11-12H2,1H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162542
PNG
(2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one | CHE...)
Show SMILES O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C20H16N2O2/c23-20-16-9-4-5-10-17(16)21-19(18-11-6-14-24-18)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated for in vitro calcilytic activity against human calcium receptor


Bioorg Med Chem Lett 15: 2537-40 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.054
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%