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PubMed code 19442519

Compile data set for download or QSAR
Found 14 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))		BDBM50346031
PNG
(6-{4-Cyano-3-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-di...)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C32H38N2O4/c1-32(2,14-18-9-19-5-3-4-6-20(19)10-18)34-16-24(35)17-38-27-13-21(7-8-22(27)15-33)25-11-23-12-26(25)29-28(23)30(29)31(36)37/h3-8,13,18,23-26,28-30,34-35H,9-12,14,16-17H2,1-2H3,(H,36,37)/t23?,24-,25?,26?,28?,29?,30?/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346032
PNG
(6-[2-((R)-1-{(R)-3-[2-(3-Chloro-4-methyl-phenyl)-1...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(Cl)c1)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C31H40ClNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20?,21-,24?,25?,27?,28?,29?/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(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 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346033
PNG
(6-(4-Cyano-3-{(R)-3-[2-(3-fluoro-4-methyl-phenyl)-...)
Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cc(ccc2C#N)C2CC3CC2C2C3C2C(O)=O)cc1F |r|
Show InChI InChI=1S/C30H35FN2O4/c1-16-4-5-17(8-24(16)31)12-30(2,3)33-14-21(34)15-37-25-11-18(6-7-19(25)13-32)22-9-20-10-23(22)27-26(20)28(27)29(35)36/h4-8,11,20-23,26-28,33-34H,9-10,12,14-15H2,1-3H3,(H,35,36)/t20?,21-,22?,23?,26?,27?,28?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50318873
PNG
((1S,2S,3R,4R,5S)-6-{2-[(1R)-1-[(2R)-3-{[1-(3-fluor...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(C)c(F)c1)c1ccccc1C1C[C@@H]2C[C@H]1[C@@H]1[C@H]2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C31H40FNO4/c1-17-9-10-19(11-26(17)32)14-31(3,4)33-15-21(34)16-37-18(2)22-7-5-6-8-23(22)24-12-20-13-25(24)28-27(20)29(28)30(35)36/h5-11,18,20-21,24-25,27-29,33-34H,12-16H2,1-4H3,(H,35,36)/t18-,20-,21-,24?,25-,27?,28-,29-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346034
PNG
(6-[2-((R)-1-{(R)-3-[2-(4-Chloro-2-fluoro-phenyl)-1...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C30H37ClFNO4/c1-16(37-15-20(34)14-33-30(2,3)13-17-8-9-19(31)12-25(17)32)21-6-4-5-7-22(21)23-10-18-11-24(23)27-26(18)28(27)29(35)36/h4-9,12,16,18,20,23-24,26-28,33-34H,10-11,13-15H2,1-3H3,(H,35,36)/t16-,18?,20-,23?,24?,26?,27?,28?/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346035
PNG
(6-{3,4-Difluoro-5-[(R)-2-hydroxy-3-(2-indan-2-yl-1...)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(cc(F)c1F)C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C31H37F2NO4/c1-31(2,13-16-7-17-5-3-4-6-18(17)8-16)34-14-21(35)15-38-25-12-19(11-24(32)29(25)33)22-9-20-10-23(22)27-26(20)28(27)30(36)37/h3-6,11-12,16,20-23,26-28,34-35H,7-10,13-15H2,1-2H3,(H,36,37)/t20?,21-,22?,23?,26?,27?,28?/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346036
PNG
(CHEMBL1198855 | Ronacaleret)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)cc(F)c1F |r|
Show InChI InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
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n/an/a 146n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346037
PNG
(6-(4-Fluoro-3-{(R)-3-[2-(3-fluoro-4-methyl-phenyl)...)
Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cc(ccc2F)C2CC3CC2C2C3C2C(O)=O)cc1F |r|
Show InChI InChI=1S/C29H35F2NO4/c1-15-4-5-16(8-23(15)31)12-29(2,3)32-13-19(33)14-36-24-11-17(6-7-22(24)30)20-9-18-10-21(20)26-25(18)27(26)28(34)35/h4-8,11,18-21,25-27,32-33H,9-10,12-14H2,1-3H3,(H,34,35)/t18?,19-,20?,21?,25?,26?,27?/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Rattus norvegicus)		BDBM50346036
PNG
(CHEMBL1198855 | Ronacaleret)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(O)=O)cc(F)c1F |r|
Show InChI InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at rat calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346038
PNG
(6-(4-Cyano-3-{(R)-3-[1,1-dimethyl-2-(1-oxo-1,3-dih...)
Show SMILES CC(C)(CN1Cc2ccccc2C1=O)NC[C@@H](O)COc1cc(ccc1C#N)C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C31H35N3O5/c1-31(2,16-34-14-19-5-3-4-6-22(19)29(34)36)33-13-21(35)15-39-25-11-17(7-8-18(25)12-32)23-9-20-10-24(23)27-26(20)28(27)30(37)38/h3-8,11,20-21,23-24,26-28,33,35H,9-10,13-16H2,1-2H3,(H,37,38)/t20?,21-,23?,24?,26?,27?,28?/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346039
PNG
(6-{3-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-e...)
Show SMILES CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cccc(c1)C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C31H39NO4/c1-31(2,15-18-10-19-6-3-4-7-20(19)11-18)32-16-23(33)17-36-24-9-5-8-21(12-24)25-13-22-14-26(25)28-27(22)29(28)30(34)35/h3-9,12,18,22-23,25-29,32-33H,10-11,13-17H2,1-2H3,(H,34,35)/t22?,23-,25?,26?,27?,28?,29?/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346041
PNG
(6-(2-{(R)-1-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dim...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1)c1ccccc1C1CC2CC1C1C2C1C(O)=O |r|
Show InChI InChI=1S/C33H43NO4/c1-19(25-10-6-7-11-26(25)27-14-23-15-28(27)30-29(23)31(30)32(36)37)38-18-24(35)17-34-33(2,3)16-20-12-21-8-4-5-9-22(21)13-20/h4-11,19-20,23-24,27-31,34-35H,12-18H2,1-3H3,(H,36,37)/t19-,23?,24-,27?,28?,29?,30?,31?/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50346040
PNG
(6-(3-{(R)-3-[2-(3-Fluoro-4-methyl-phenyl)-1,1-dime...)
Show SMILES Cc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(c2)C2CC3CC2C2C3C2C(O)=O)cc1F |r|
Show InChI InChI=1S/C29H36FNO4/c1-16-7-8-17(9-24(16)30)13-29(2,3)31-14-20(32)15-35-21-6-4-5-18(10-21)22-11-19-12-23(22)26-25(19)27(26)28(33)34/h4-10,19-20,22-23,25-27,31-32H,11-15H2,1-3H3,(H,33,34)/t19?,20-,22?,23?,25?,26?,27?/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human recombinant calcium sensing receptor expressed in HEK cells

Bioorg Med Chem Lett 19: 3328-32 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.044
BindingDB Entry DOI: 10.7270/Q2K937V7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%