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PubMed code 21306167

Compile data set for download or QSAR
Found 26 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))		BDBM50339341
PNG
((5R)-(-)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-15-13-19(3)14-16-21)30-25(32)22-18-28-31-24(22)29-23(17-26(31,4)5)20-11-9-8-10-12-20/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)/t23-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339329
PNG
(CHEMBL1689815 | N-(1-Ethyl-1-phenylpropyl)-7,7-dim...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H32N4O/c1-5-26(6-2,20-15-11-8-12-16-20)29-24(31)21-18-27-30-23(21)28-22(17-25(30,3)4)19-13-9-7-10-14-19/h7-16,18,22,28H,5-6,17H2,1-4H3,(H,29,31)
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n/an/a 3.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339323
PNG
(7,7-Dimethyl-N-{1-methyl-1-[4-(trifluoromethyl)phe...)
Show SMILES CC(C)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H27F3N4O/c1-23(2)14-20(16-8-6-5-7-9-16)30-21-19(15-29-32(21)23)22(33)31-24(3,4)17-10-12-18(13-11-17)25(26,27)28/h5-13,15,20,30H,14H2,1-4H3,(H,31,33)
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n/an/a 3.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339325
PNG
(7,7-Dimethyl-5-phenyl-N-{1-propyl-1-[4-(trifluorom...)
Show SMILES CCCC(CCC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N4O/c1-5-16-28(17-6-2,21-12-14-22(15-13-21)29(30,31)32)35-26(37)23-19-33-36-25(23)34-24(18-27(36,3)4)20-10-8-7-9-11-20/h7-15,19,24,34H,5-6,16-18H2,1-4H3,(H,35,37)
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n/an/a 4.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339341
PNG
((5R)-(-)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-15-13-19(3)14-16-21)30-25(32)22-18-28-31-24(22)29-23(17-26(31,4)5)20-11-9-8-10-12-20/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)/t23-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339320
PNG
(CHEMBL1688103 | Ethyl 4-(1-{[(7,7-Dimethyl-5-pheny...)
Show SMILES CCOC(=O)c1ccc(cc1)C(CC)(CC)NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1
Show InChI InChI=1S/C29H36N4O3/c1-6-29(7-2,22-16-14-21(15-17-22)27(35)36-8-3)32-26(34)23-19-30-33-25(23)31-24(18-28(33,4)5)20-12-10-9-11-13-20/h9-17,19,24,31H,6-8,18H2,1-5H3,(H,32,34)
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n/an/a 5.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339335
PNG
(CHEMBL1687946 | N-[1-Ethyl-1-(4-methylphenyl)propy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-15-13-19(3)14-16-21)30-25(32)22-18-28-31-24(22)29-23(17-26(31,4)5)20-11-9-8-10-12-20/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339336
PNG
(CHEMBL1688087 | N-[1-Ethyl-1-(4-methoxyphenyl)prop...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(OC)cc1
Show InChI InChI=1S/C27H34N4O2/c1-6-27(7-2,20-13-15-21(33-5)16-14-20)30-25(32)22-18-28-31-24(22)29-23(17-26(31,3)4)19-11-9-8-10-12-19/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)
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n/an/a 6.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339332
PNG
(CHEMBL1689818 | N-[1-Ethyl-1-(4-fluorophenyl)propy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H31FN4O/c1-5-26(6-2,19-12-14-20(27)15-13-19)30-24(32)21-17-28-31-23(21)29-22(16-25(31,3)4)18-10-8-7-9-11-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
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n/an/a 7.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339330
PNG
(CHEMBL1689816 | N-[1-(4-Chlorophenyl)-1-ethylpropy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H31ClN4O/c1-5-26(6-2,19-12-14-20(27)15-13-19)30-24(32)21-17-28-31-23(21)29-22(16-25(31,3)4)18-10-8-7-9-11-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
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n/an/a 7.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339324
PNG
(CHEMBL1689810 | N-{1-Ethyl-1-[4-(trifluoromethyl)p...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C27H31F3N4O/c1-5-26(6-2,19-12-14-20(15-13-19)27(28,29)30)33-24(35)21-17-31-34-23(21)32-22(16-25(34,3)4)18-10-8-7-9-11-18/h7-15,17,22,32H,5-6,16H2,1-4H3,(H,33,35)
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n/an/a 7.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339337
PNG
(CHEMBL1688088 | N-{1-[4-(Benzyloxy)phenyl]-1-ethyl...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C33H38N4O2/c1-5-33(6-2,26-17-19-27(20-18-26)39-23-24-13-9-7-10-14-24)36-31(38)28-22-34-37-30(28)35-29(21-32(37,3)4)25-15-11-8-12-16-25/h7-20,22,29,35H,5-6,21,23H2,1-4H3,(H,36,38)
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n/an/a 8.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50331964
PNG
(CHEMBL1290328 | N-(1-Adamantyl)-7,7-dimethyl-5-phe...)
Show SMILES CC1(C)C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20,13:14:17:21.19.20|
Show InChI InChI=1S/C25H32N4O/c1-24(2)14-21(19-6-4-3-5-7-19)27-22-20(15-26-29(22)24)23(30)28-25-11-16-8-17(12-25)10-18(9-16)13-25/h3-7,15-18,21,27H,8-14H2,1-2H3,(H,28,30)/t16?,17?,18?,21-,25?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339340
PNG
(CHEMBL1688092 | N-{1-Ethyl-1-[4-(2-oxobutoxy)pheny...)
Show SMILES CCC(=O)Oc1ccc(cc1)C(CC)(CC)NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1
Show InChI InChI=1S/C29H36N4O3/c1-6-25(34)36-22-16-14-21(15-17-22)29(7-2,8-3)32-27(35)23-19-30-33-26(23)31-24(18-28(33,4)5)20-12-10-9-11-13-20/h9-17,19,24,31H,6-8,18H2,1-5H3,(H,32,35)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339334
PNG
(CHEMBL1688086 | N-[1-Ethyl-1-(2-fluorophenyl)propy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccccc1F
Show InChI InChI=1S/C26H31FN4O/c1-5-26(6-2,20-14-10-11-15-21(20)27)30-24(32)19-17-28-31-23(19)29-22(16-25(31,3)4)18-12-8-7-9-13-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339338
PNG
(4-(1-{[(7,7-Dimethyl-5-phenyl-4,5,6,7-tetrahydropy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(COC(C)=O)cc1
Show InChI InChI=1S/C29H36N4O3/c1-6-29(7-2,23-15-13-21(14-16-23)19-36-20(3)34)32-27(35)24-18-30-33-26(24)31-25(17-28(33,4)5)22-11-9-8-10-12-22/h8-16,18,25,31H,6-7,17,19H2,1-5H3,(H,32,35)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339331
PNG
(CHEMBL1689817 | N-[1-(3-Chlorophenyl)-1-ethylpropy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H31ClN4O/c1-5-26(6-2,19-13-10-14-20(27)15-19)30-24(32)21-17-28-31-23(21)29-22(16-25(31,3)4)18-11-8-7-9-12-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339326
PNG
(CHEMBL1689812 | N-{1-Butyl-1-[4-(trifluoromethyl)p...)
Show SMILES CCCCC(CCCC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C31H39F3N4O/c1-5-7-18-30(19-8-6-2,23-14-16-24(17-15-23)31(32,33)34)37-28(39)25-21-35-38-27(25)36-26(20-29(38,3)4)22-12-10-9-11-13-22/h9-17,21,26,36H,5-8,18-20H2,1-4H3,(H,37,39)
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339333
PNG
(CHEMBL1688085 | N-[1-Ethyl-1-(3-fluorophenyl)propy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1cccc(F)c1
Show InChI InChI=1S/C26H31FN4O/c1-5-26(6-2,19-13-10-14-20(27)15-19)30-24(32)21-17-28-31-23(21)29-22(16-25(31,3)4)18-11-8-7-9-12-18/h7-15,17,22,29H,5-6,16H2,1-4H3,(H,30,32)
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339327
PNG
(CHEMBL1689813 | N-{1-Isopropyl-2-methyl-1-[4-(trif...)
Show SMILES CC(C)C(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)(C(C)C)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C29H35F3N4O/c1-18(2)28(19(3)4,21-12-14-22(15-13-21)29(30,31)32)35-26(37)23-17-33-36-25(23)34-24(16-27(36,5)6)20-10-8-7-9-11-20/h7-15,17-19,24,34H,16H2,1-6H3,(H,35,37)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339342
PNG
((5S)-(+)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-7,7-...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1N[C@@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-15-13-19(3)14-16-21)30-25(32)22-18-28-31-24(22)29-23(17-26(31,4)5)20-11-9-8-10-12-20/h8-16,18,23,29H,6-7,17H2,1-5H3,(H,30,32)/t23-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339339
PNG
(4-(1-{[(7,7-Dimethyl-5-phenyl-4,5,6,7-tetrahydropy...)
Show SMILES CCC(CC)(NC(=O)c1cnn2c1NC(CC2(C)C)c1ccccc1)c1ccc(OC(C)=O)cc1
Show InChI InChI=1S/C28H34N4O3/c1-6-28(7-2,21-13-15-22(16-14-21)35-19(3)33)31-26(34)23-18-29-32-25(23)30-24(17-27(32,4)5)20-11-9-8-10-12-20/h8-16,18,24,30H,6-7,17H2,1-5H3,(H,31,34)
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n/an/a 31n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50331946
PNG
(CHEMBL1289345 | N-(1-Adamantyl)-5-phenyl-7-(triflu...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22,15:16:19:23.21.22|
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)20-9-19(17-4-2-1-3-5-17)29-21-18(13-28-31(20)21)22(32)30-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,19-20,29H,6-12H2,(H,30,32)/t14?,15?,16?,19-,20+,23?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339328
PNG
(CHEMBL1689814 | N-{Dicyclohexyl[4-(trifluoromethyl...)
Show SMILES CC1(C)CC(Nc2c(cnn12)C(=O)NC(C1CCCCC1)(C1CCCCC1)c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C35H43F3N4O/c1-33(2)22-30(24-12-6-3-7-13-24)40-31-29(23-39-42(31)33)32(43)41-34(25-14-8-4-9-15-25,26-16-10-5-11-17-26)27-18-20-28(21-19-27)35(36,37)38/h3,6-7,12-13,18-21,23,25-26,30,40H,4-5,8-11,14-17,22H2,1-2H3,(H,41,43)
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n/an/a 150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339322
PNG
((5S,7R)-N-benzhydryl-5-phenyl-7-(trifluoromethyl)-...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H23F3N4O/c28-27(29,30)23-16-22(18-10-4-1-5-11-18)32-25-21(17-31-34(23)25)26(35)33-24(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,17,22-24,32H,16H2,(H,33,35)/t22-,23+/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339321
PNG
((5S,7R)-5-phenyl-7-(trifluoromethyl)-N-(4-(trifluo...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NCc1ccc(cc1)C(F)(F)F)c1ccccc1 |r|
Show InChI InChI=1S/C22H18F6N4O/c23-21(24,25)15-8-6-13(7-9-15)11-29-20(33)16-12-30-32-18(22(26,27)28)10-17(31-19(16)32)14-4-2-1-3-5-14/h1-9,12,17-18,31H,10-11H2,(H,29,33)/t17-,18+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assay

J Med Chem 54: 1430-40 (2011)


Article DOI: 10.1021/jm101452x
BindingDB Entry DOI: 10.7270/Q2K35TZ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%