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PubMed code 15745796

Compile data set for download or QSAR
Found 22 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 against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162536
PNG
(6-Fluoro-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydrox...)
Show SMILES Oc1ccccc1-c1nc2ccc(F)cc2c(=O)n1CCc1cccc(F)c1
Show InChI InChI=1S/C22H16F2N2O2/c23-15-5-3-4-14(12-15)10-11-26-21(17-6-1-2-7-20(17)27)25-19-9-8-16(24)13-18(19)22(26)28/h1-9,12-13,27H,10-11H2
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n/an/a 190n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162537
PNG
(6-Fluoro-2-(2-hydroxy-phenyl)-3-phenethyl-3H-quina...)
Show SMILES Oc1ccccc1-c1nc2ccc(F)cc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H17FN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2
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n/an/a 210n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162547
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Cc1cccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c12
Show InChI InChI=1S/C23H19FN2O2/c1-15-6-4-10-19-21(15)23(28)26(13-12-16-7-5-8-17(24)14-16)22(25-19)18-9-2-3-11-20(18)27/h2-11,14,27H,12-13H2,1H3
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n/an/a 250n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162538
PNG
(2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-3H-quina...)
Show SMILES Cc1cccc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c12
Show InChI InChI=1S/C23H20N2O2/c1-16-8-7-12-19-21(16)23(27)25(15-14-17-9-3-2-4-10-17)22(24-19)18-11-5-6-13-20(18)26/h2-13,26H,14-15H2,1H3
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n/an/a 250n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162553
PNG
(6-Chloro-2-(2-hydroxy-phenyl)-3-phenethyl-3H-quina...)
Show SMILES Oc1ccccc1-c1nc2ccc(Cl)cc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H17ClN2O2/c23-16-10-11-19-18(14-16)22(27)25(13-12-15-6-2-1-3-7-15)21(24-19)17-8-4-5-9-20(17)26/h1-11,14,26H,12-13H2
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n/an/a 300n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162554
PNG
(2-(2-Hydroxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES Oc1ccccc1-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H18N2O2/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/h1-13,25H,14-15H2
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n/an/a 300n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162539
PNG
(3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Cc1ccc2nc(-c3ccccc3O)n(CCc3cccc(F)c3)c(=O)c2c1
Show InChI InChI=1S/C23H19FN2O2/c1-15-9-10-20-19(13-15)23(28)26(12-11-16-5-4-6-17(24)14-16)22(25-20)18-7-2-3-8-21(18)27/h2-10,13-14,27H,11-12H2,1H3
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n/an/a 520n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162552
PNG
(7-Fluoro-2-(2-hydroxy-phenyl)-3-phenethyl-3H-quina...)
Show SMILES Oc1ccccc1-c1nc2cc(F)ccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H17FN2O2/c23-16-10-11-17-19(14-16)24-21(18-8-4-5-9-20(18)26)25(22(17)27)13-12-15-6-2-1-3-7-15/h1-11,14,26H,12-13H2
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n/an/a 600n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162545
PNG
(2-(2-Hydroxy-phenyl)-8-methyl-3-phenethyl-3H-quina...)
Show SMILES Cc1cccc2c1nc(-c1ccccc1O)n(CCc1ccccc1)c2=O
Show InChI InChI=1S/C23H20N2O2/c1-16-8-7-12-19-21(16)24-22(18-11-5-6-13-20(18)26)25(23(19)27)15-14-17-9-3-2-4-10-17/h2-13,26H,14-15H2,1H3
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n/an/a 700n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162555
PNG
(3-[2-(3-Chloro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)...)
Show SMILES Oc1ccccc1-c1nc2ccccc2c(=O)n1CCc1cccc(Cl)c1
Show InChI InChI=1S/C22H17ClN2O2/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/h1-11,14,26H,12-13H2
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n/an/a 800n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162546
PNG
(2-(2,5-Dihydroxy-phenyl)-3-phenethyl-3H-quinazolin...)
Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H18N2O3/c25-16-10-11-20(26)18(14-16)21-23-19-9-5-4-8-17(19)22(27)24(21)13-12-15-6-2-1-3-7-15/h1-11,14,25-26H,12-13H2
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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 against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162549
PNG
(7-Chloro-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydrox...)
Show SMILES Oc1ccccc1-c1nc2cc(Cl)ccc2c(=O)n1CCc1cccc(F)c1
Show InChI InChI=1S/C22H16ClFN2O2/c23-15-8-9-17-19(13-15)25-21(18-6-1-2-7-20(18)27)26(22(17)28)11-10-14-4-3-5-16(24)12-14/h1-9,12-13,27H,10-11H2
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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 against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162535
PNG
(2-(3-Hydroxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-18-10-6-9-17(15-18)21-23-20-12-5-4-11-19(20)22(26)24(21)14-13-16-7-2-1-3-8-16/h1-12,15,25H,13-14H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
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 against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162540
PNG
(3-Phenethyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1...)
Show SMILES O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H18N2O/c25-22-19-13-7-8-14-20(19)23-21(18-11-5-2-6-12-18)24(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162548
PNG
(2-(4-Methoxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-27-19-13-11-18(12-14-19)22-24-21-10-6-5-9-20(21)23(26)25(22)16-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162551
PNG
(2-(2-Fluoro-phenyl)-3-phenethyl-3H-quinazolin-4-on...)
Show SMILES Fc1ccccc1-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H17FN2O/c23-19-12-6-4-10-17(19)21-24-20-13-7-5-11-18(20)22(26)25(21)15-14-16-8-2-1-3-9-16/h1-13H,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162544
PNG
(2-(2-Methoxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES COc1ccccc1-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-27-21-14-8-6-12-19(21)22-24-20-13-7-5-11-18(20)23(26)25(22)16-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162550
PNG
(2-(3-Methoxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES COc1cccc(c1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C23H20N2O2/c1-27-19-11-7-10-18(16-19)22-24-21-13-6-5-12-20(21)23(26)25(22)15-14-17-8-3-2-4-9-17/h2-13,16H,14-15H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162541
PNG
(2-(4-Hydroxy-phenyl)-3-phenethyl-3H-quinazolin-4-o...)
Show SMILES Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H18N2O2/c25-18-12-10-17(11-13-18)21-23-20-9-5-4-8-19(20)22(26)24(21)15-14-16-6-2-1-3-7-16/h1-13,25H,14-15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50162543
PNG
(2-(3-Fluoro-phenyl)-3-phenethyl-3H-quinazolin-4-on...)
Show SMILES Fc1cccc(c1)-c1nc2ccccc2c(=O)n1CCc1ccccc1
Show InChI InChI=1S/C22H17FN2O/c23-18-10-6-9-17(15-18)21-24-20-12-5-4-11-19(20)22(26)25(21)14-13-16-7-2-1-3-8-16/h1-12,15H,13-14H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



NPS Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human calcium receptor expressed in HEK 293 cells


Bioorg Med Chem Lett 15: 1557-60 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.078
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%