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Compile Data Set for Download or QSAR

Found 116 hits with Last Name = 'kotani' and Initial = 'e'   
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))		BDBM50339725
PNG
((5R)-N-[1-Ethyl-1-(4-ethylphenyl)propyl]-2,7,7-tri...)
Show SMILES CCc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1
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n/an/a 0.940n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339727
PNG
((5R)-N-[1-(3-Chloro-4-methoxyphenyl)-1-ethylpropyl...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(Cl)c1 |r|
Show InChI InChI=1S/C28H35ClN4O2/c1-7-28(8-2,20-14-15-23(35-6)21(29)16-20)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34)/t22-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339726
PNG
((5R)-N-[1-Ethyl-1-(4-isopropylphenyl)propyl]-2,7,7...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)C |r|
Show InChI InChI=1S/C30H40N4O/c1-8-30(9-2,24-17-15-22(16-18-24)20(3)4)32-28(35)26-21(5)33-34-27(26)31-25(19-29(34,6)7)23-13-11-10-12-14-23/h10-18,20,25,31H,8-9,19H2,1-7H3,(H,32,35)/t25-/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339728
PNG
((5R)-N-[1-Ethyl-1-(4-methoxyphenyl)propyl]-2,7,7-t...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C28H36N4O2/c1-7-28(8-2,21-14-16-22(34-6)17-15-21)30-26(33)24-19(3)31-32-25(24)29-23(18-27(32,4)5)20-12-10-9-11-13-20/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339729
PNG
((5R)-N-{1-[4-(Benzyloxy)phenyl]-1-ethylpropyl}-2,7...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C34H40N4O2/c1-6-34(7-2,27-18-20-28(21-19-27)40-23-25-14-10-8-11-15-25)36-32(39)30-24(3)37-38-31(30)35-29(22-33(38,4)5)26-16-12-9-13-17-26/h8-21,29,35H,6-7,22-23H2,1-5H3,(H,36,39)/t29-/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
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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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339730
PNG
((5R)-N-(1-Ethyl-1-phenylpropyl)-2,7,7-trimethyl-5-...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N4O/c1-6-27(7-2,21-16-12-9-13-17-21)29-25(32)23-19(3)30-31-24(23)28-22(18-26(31,4)5)20-14-10-8-11-15-20/h8-17,22,28H,6-7,18H2,1-5H3,(H,29,32)/t22-/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
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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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))		BDBM50339731
PNG
((5R)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-2,7,7-tr...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H36N4O/c1-7-28(8-2,22-16-14-19(3)15-17-22)30-26(33)24-20(4)31-32-25(24)29-23(18-27(32,5)6)21-12-10-9-11-13-21/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339732
PNG
((5R)-N-[1-(4-Ethoxyphenyl)-1-ethylpropyl]-2,7,7-tr...)
Show SMILES CCOc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C29H38N4O2/c1-7-29(8-2,22-15-17-23(18-16-22)35-9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)21-13-11-10-12-14-21/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173629
PNG
(CHEMBL197912 | Cyclopentyl-[4-(2-ethyl-4-m-tolyl-t...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC2CCCC2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C22H25N3S/c1-3-20-25-21(16-8-6-7-15(2)13-16)22(26-20)17-11-12-23-19(14-17)24-18-9-4-5-10-18/h6-8,11-14,18H,3-5,9-10H2,1-2H3,(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50234480
PNG
(CHEMBL4069551)
Show SMILES CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(Cl)cc3Cl)n(C)c12
Show InChI InChI=1S/C20H21Cl3N2O/c1-5-12(6-2)14-7-8-15(22)17-18(14)25(4)20(24-17)26-19-11(3)9-13(21)10-16(19)23/h7-10,12H,5-6H2,1-4H3
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...

Bioorg Med Chem 25: 1556-1570 (2017)


Article DOI: 10.1016/j.bmc.2016.11.011
BindingDB Entry DOI: 10.7270/Q23R0W4P
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339731
PNG
((5R)-N-[1-Ethyl-1-(4-methylphenyl)propyl]-2,7,7-tr...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C28H36N4O/c1-7-28(8-2,22-16-14-19(3)15-17-22)30-26(33)24-20(4)31-32-25(24)29-23(18-27(32,5)6)21-12-10-9-11-13-21/h9-17,23,29H,7-8,18H2,1-6H3,(H,30,33)/t23-/m1/s1
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Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339725
PNG
((5R)-N-[1-Ethyl-1-(4-ethylphenyl)propyl]-2,7,7-tri...)
Show SMILES CCc1ccc(cc1)C(CC)(CC)NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1 |r|
Show InChI InChI=1S/C29H38N4O/c1-7-21-15-17-23(18-16-21)29(8-2,9-3)31-27(34)25-20(4)32-33-26(25)30-24(19-28(33,5)6)22-13-11-10-12-14-22/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)/t24-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
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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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))		BDBM50339734
PNG
((5R)-N-[1-Ethyl-1-(3-fluoro-4-methoxyphenyl)propyl...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(F)c1 |r|
Show InChI InChI=1S/C28H35FN4O2/c1-7-28(8-2,20-14-15-23(35-6)21(29)16-20)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34)/t22-/m1/s1
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339735
PNG
(CHEMBL1689046 | rac-N-[1-Ethyl-1-(4-methylphenyl)p...)
Show SMILES CCC(CC)(NC(=O)c1c(SC)nn2c1NC(CC2(C)C)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C28H36N4OS/c1-7-28(8-2,21-16-14-19(3)15-17-21)30-25(33)23-24-29-22(20-12-10-9-11-13-20)18-27(4,5)32(24)31-26(23)34-6/h9-17,22,29H,7-8,18H2,1-6H3,(H,30,33)
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n/an/a 4.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339736
PNG
((5R)-N-[1-(4-Acetylphenyl)-1-ethylpropyl]-2,7,7-tr...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(cc1)C(C)=O |r|
Show InChI InChI=1S/C29H36N4O2/c1-7-29(8-2,23-16-14-21(15-17-23)20(4)34)31-27(35)25-19(3)32-33-26(25)30-24(18-28(33,5)6)22-12-10-9-11-13-22/h9-17,24,30H,7-8,18H2,1-6H3,(H,31,35)/t24-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173614
PNG
(CHEMBL196575 | [4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NCCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C25H25N3S/c1-3-23-28-24(20-11-7-8-18(2)16-20)25(29-23)21-13-15-27-22(17-21)26-14-12-19-9-5-4-6-10-19/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,26,27)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173627
PNG
(CHEMBL197581 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)Cc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C25H23N3OS/c1-3-23-28-24(19-11-7-8-17(2)14-19)25(30-23)20-12-13-26-21(16-20)27-22(29)15-18-9-5-4-6-10-18/h4-14,16H,3,15H2,1-2H3,(H,26,27,29)
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n/an/a 5.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339737
PNG
(CHEMBL1689042 | rac-N-[1-Ethyl-1-(4-methylphenyl)p...)
Show SMILES CCCc1nn2c(NC(CC2(C)C)c2ccccc2)c1C(=O)NC(CC)(CC)c1ccc(C)cc1
Show InChI InChI=1S/C30H40N4O/c1-7-13-24-26(28(35)32-30(8-2,9-3)23-18-16-21(4)17-19-23)27-31-25(22-14-11-10-12-15-22)20-29(5,6)34(27)33-24/h10-12,14-19,25,31H,7-9,13,20H2,1-6H3,(H,32,35)
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339738
PNG
((5R)-N-[1-(4-Chloro-3-methoxyphenyl)-1-ethylpropyl...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(Cl)c(OC)c1 |r|
Show InChI InChI=1S/C28H35ClN4O2/c1-7-28(8-2,20-14-15-21(29)23(16-20)35-6)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34)/t22-/m1/s1
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n/an/a 6.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
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))		BDBM50339739
PNG
(CHEMBL1689041 | rac-2-Ethyl-N-[1-ethyl-1-(4-methyl...)
Show SMILES CCc1nn2c(NC(CC2(C)C)c2ccccc2)c1C(=O)NC(CC)(CC)c1ccc(C)cc1
Show InChI InChI=1S/C29H38N4O/c1-7-23-25(27(34)31-29(8-2,9-3)22-17-15-20(4)16-18-22)26-30-24(21-13-11-10-12-14-21)19-28(5,6)33(26)32-23/h10-18,24,30H,7-9,19H2,1-6H3,(H,31,34)
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173621
PNG
(Benzyl-[4-(2-ethyl-4-m-tolyl-thiazol-5-yl)-pyridin...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H23N3S/c1-3-22-27-23(19-11-7-8-17(2)14-19)24(28-22)20-12-13-25-21(15-20)26-16-18-9-5-4-6-10-18/h4-15H,3,16H2,1-2H3,(H,25,26)
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173609
PNG
(CHEMBL363648 | D3RKN_11 | N-[4-(2-Ethyl-4-m-tolyl-...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H21N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3,(H,25,26,28)
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n/an/a 7.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50234477
PNG
(CHEMBL4087369)
Show SMILES CCCC(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
Show InChI InChI=1S/C23H29Cl2N3O/c1-6-8-15(9-7-2)17-10-11-18(25)21-22(17)28(4)23(27-21)26-20-14(3)12-16(24)13-19(20)29-5/h10-13,15H,6-9H2,1-5H3,(H,26,27)
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n/an/a 7.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...

Bioorg Med Chem 25: 1556-1570 (2017)


Article DOI: 10.1016/j.bmc.2016.11.011
BindingDB Entry DOI: 10.7270/Q23R0W4P
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173606
PNG
(CHEMBL198383 | Cyclohexanecarboxylic acid [4-(2-et...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)C2CCCCC2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C24H27N3OS/c1-3-21-27-22(18-11-7-8-16(2)14-18)23(29-21)19-12-13-25-20(15-19)26-24(28)17-9-5-4-6-10-17/h7-8,11-15,17H,3-6,9-10H2,1-2H3,(H,25,26,28)
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n/an/a 7.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50234487
PNG
(CHEMBL4070898)
Show SMILES CCC(CC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3Cl)n(C)c12
Show InChI InChI=1S/C20H22Cl3N3/c1-5-12(6-2)14-7-8-15(22)18-19(14)26(4)20(25-18)24-17-11(3)9-13(21)10-16(17)23/h7-10,12H,5-6H2,1-4H3,(H,24,25)
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n/an/a 7.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes after 1.5 hrs by liquid scintillation counting method

Bioorg Med Chem 25: 1556-1570 (2017)


Article DOI: 10.1016/j.bmc.2016.11.011
BindingDB Entry DOI: 10.7270/Q23R0W4P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173633
PNG
(CHEMBL194201 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NC(=O)CCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C26H25N3OS/c1-3-24-29-25(20-11-7-8-18(2)16-20)26(31-24)21-14-15-27-22(17-21)28-23(30)13-12-19-9-5-4-6-10-19/h4-11,14-17H,3,12-13H2,1-2H3,(H,27,28,30)
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n/an/a 8.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173617
PNG
(CHEMBL381864 | [4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)...)
Show SMILES CCc1nc(c(s1)-c1ccnc(NCCCc2ccccc2)c1)-c1cccc(C)c1
Show InChI InChI=1S/C26H27N3S/c1-3-24-29-25(21-13-7-9-19(2)17-21)26(30-24)22-14-16-28-23(18-22)27-15-8-12-20-10-5-4-6-11-20/h4-7,9-11,13-14,16-18H,3,8,12,15H2,1-2H3,(H,27,28)
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n/an/a 8.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
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
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50234482
PNG
(CHEMBL4096045)
Show SMILES CCC(CC)c1ccc(Cl)c2nc(Oc3c(C)cc(cc3Cl)C#N)n(C)c12
Show InChI InChI=1S/C21H21Cl2N3O/c1-5-14(6-2)15-7-8-16(22)18-19(15)26(4)21(25-18)27-20-12(3)9-13(11-24)10-17(20)23/h7-10,14H,5-6H2,1-4H3
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n/an/a 8.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...

Bioorg Med Chem 25: 1556-1570 (2017)


Article DOI: 10.1016/j.bmc.2016.11.011
BindingDB Entry DOI: 10.7270/Q23R0W4P
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173622
PNG
(CHEMBL199160 | N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-y...)
Show SMILES CCC(=O)Nc1cc(ccn1)-c1sc(CC)nc1-c1cccc(C)c1
Show InChI InChI=1S/C20H21N3OS/c1-4-17(24)22-16-12-15(9-10-21-16)20-19(23-18(5-2)25-20)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H,21,22,24)
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n/an/a 8.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173626
PNG
(CHEMBL382103 | {4-[2-(4-Methanesulfonyl-phenyl)-4-...)
Show SMILES Cc1cccc(c1)-c1nc(sc1-c1ccnc(NCCc2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C30H27N3O2S2/c1-21-7-6-10-24(19-21)28-29(36-30(33-28)23-11-13-26(14-12-23)37(2,34)35)25-16-18-32-27(20-25)31-17-15-22-8-4-3-5-9-22/h3-14,16,18-20H,15,17H2,1-2H3,(H,31,32)
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n/an/a 9.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
More data for this
Ligand-Target Pair
Corticotropin-releasing factor receptor 1


(Homo sapiens (Human))		BDBM50161832
PNG
(CHEMBL3792517)
Show SMILES CCCN(CCC)c1ccc(Cl)c2nc(Nc3c(C)cc(Cl)cc3OC)n(C)c12
Show InChI InChI=1S/C22H28Cl2N4O/c1-6-10-28(11-7-2)17-9-8-16(24)20-21(17)27(4)22(26-20)25-19-14(3)12-15(23)13-18(19)29-5/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,25,26)
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n/an/a 9.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Displacement of ovine [125-I]-CRF from human CRF1 receptor expressed in CHO cell membranes preincubated for 1 hr followed by [125I]-CRF addition meas...

Bioorg Med Chem 25: 1556-1570 (2017)


Article DOI: 10.1016/j.bmc.2016.11.011
BindingDB Entry DOI: 10.7270/Q23R0W4P
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))		BDBM50339742
PNG
((5R)-N-[1-Ethyl-1-(4-fluoro-3-methoxyphenyl)propyl...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(F)c(OC)c1 |r|
Show InChI InChI=1S/C28H35FN4O2/c1-7-28(8-2,20-14-15-21(29)23(16-20)35-6)31-26(34)24-18(3)32-33-25(24)30-22(17-27(33,4)5)19-12-10-9-11-13-19/h9-16,22,30H,7-8,17H2,1-6H3,(H,31,34)/t22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339741
PNG
((5R)-N-[1-(3,4-Dimethoxyphenyl)-1-ethylpropyl]-2,7...)
Show SMILES CCC(CC)(NC(=O)c1c(C)nn2c1N[C@H](CC2(C)C)c1ccccc1)c1ccc(OC)c(OC)c1 |r|
Show InChI InChI=1S/C29H38N4O3/c1-8-29(9-2,21-15-16-23(35-6)24(17-21)36-7)31-27(34)25-19(3)32-33-26(25)30-22(18-28(33,4)5)20-13-11-10-12-14-20/h10-17,22,30H,8-9,18H2,1-7H3,(H,31,34)/t22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Extracellular calcium-sensing receptor


(Homo sapiens (Human))		BDBM50339740
PNG
(CHEMBL1689043 | rac-2-Butyl-N-[1-ethyl-1-(4-methyl...)
Show SMILES CCCCc1nn2c(NC(CC2(C)C)c2ccccc2)c1C(=O)NC(CC)(CC)c1ccc(C)cc1
Show InChI InChI=1S/C31H42N4O/c1-7-10-16-25-27(29(36)33-31(8-2,9-3)24-19-17-22(4)18-20-24)28-32-26(23-14-12-11-13-15-23)21-30(5,6)35(28)34-25/h11-15,17-20,26,32H,7-10,16,21H2,1-6H3,(H,33,36)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation counting

Bioorg Med Chem 19: 1881-94 (2011)


Article DOI: 10.1016/j.bmc.2011.02.001
BindingDB Entry DOI: 10.7270/Q2MW2HFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))		BDBM50173611
PNG
(Benzyl-{4-[2-(4-methanesulfonyl-phenyl)-4-m-tolyl-...)
Show SMILES Cc1cccc(c1)-c1nc(sc1-c1ccnc(NCc2ccccc2)c1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C29H25N3O2S2/c1-20-7-6-10-23(17-20)27-28(35-29(32-27)22-11-13-25(14-12-22)36(2,33)34)24-15-16-30-26(18-24)31-19-21-8-4-3-5-9-21/h3-18H,19H2,1-2H3,(H,30,31)
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha

J Med Chem 48: 5966-79 (2005)


Article DOI: 10.1021/jm050165o
BindingDB Entry DOI: 10.7270/Q2G160DZ
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
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