BindingDB logo
myBDB logout

PubMed code 21055954

Compile data set for download or QSAR
Found 21 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))
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
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(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
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331960
PNG
(CHEMBL1290106 | N-(1-Adamantyl)-7-methyl-5-phenyl-...)
Show SMILES C[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |r,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,12:13:16:20.18.19|
Show InChI InChI=1S/C24H30N4O/c1-15-7-21(19-5-3-2-4-6-19)26-22-20(14-25-28(15)22)23(29)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-6,14-18,21,26H,7-13H2,1H3,(H,27,29)/t15-,16?,17?,18?,21-,24?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331947
PNG
(1-Adamantyl-5-phenyl-7-(trifluoromethyl)-4,5,6,7-t...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)OC12CC3CC(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/C24H26F3N3O2/c25-24(26,27)20-9-19(17-4-2-1-3-5-17)29-21-18(13-28-30(20)21)22(31)32-23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,19-20,29H,6-12H2/t14?,15?,16?,19-,20+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331951
PNG
(CHEMBL1289573 | N-(1-Adamantyl)-5-(2-chlorophenyl)...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1Cl |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/C24H26ClF3N4O/c25-18-4-2-1-3-16(18)19-8-20(24(26,27)28)32-21(30-19)17(12-29-32)22(33)31-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,12-15,19-20,30H,5-11H2,(H,31,33)/t13?,14?,15?,19-,20+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331952
PNG
(CHEMBL1289679 | N-(1-Adamantyl)-5-(3-chlorophenyl)...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1 |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/C24H26ClF3N4O/c25-17-3-1-2-16(7-17)19-8-20(24(26,27)28)32-21(30-19)18(12-29-32)22(33)31-23-9-13-4-14(10-23)6-15(5-13)11-23/h1-3,7,12-15,19-20,30H,4-6,8-11H2,(H,31,33)/t13?,14?,15?,19-,20+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331956
PNG
(CHEMBL1289892 | N-(1-Adamantyl)-5-(2-furanyl)-7-(t...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccco1 |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/C22H25F3N4O2/c23-22(24,25)18-7-16(17-2-1-3-31-17)27-19-15(11-26-29(18)19)20(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,11-14,16,18,27H,4-10H2,(H,28,30)/t12?,13?,14?,16-,18+,21?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331965
PNG
(CHEMBL1290329 | N-(1-Adamantyl)-7,7-dimethyl-5-phe...)
Show SMILES CC1(C)CC(=Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 |c:4,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/C25H30N4O/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/h3-7,15-18H,8-14H2,1-2H3,(H,28,30)
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331959
PNG
(CHEMBL1290007 | N-(1-Adamantyl)-5,7-diphenyl-4,5,6...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2[C@H](C[C@H](Nc12)c1ccccc1)c1ccccc1 |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9,2:3:6:10.8.9|
Show InChI InChI=1S/C29H32N4O/c34-28(32-29-15-19-11-20(16-29)13-21(12-19)17-29)24-18-30-33-26(23-9-5-2-6-10-23)14-25(31-27(24)33)22-7-3-1-4-8-22/h1-10,18-21,25-26,31H,11-17H2,(H,32,34)/t19?,20?,21?,25-,26+,29?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331963
PNG
(CHEMBL1290216 | N-(1-Adamantyl)-5-phenyl-4,5,6,7-t...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2CC[C@H](Nc12)c1ccccc1 |r,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9,2:3:6:10.8.9|
Show InChI InChI=1S/C23H28N4O/c28-22(26-23-11-15-8-16(12-23)10-17(9-15)13-23)19-14-24-27-7-6-20(25-21(19)27)18-4-2-1-3-5-18/h1-5,14-17,20,25H,6-13H2,(H,26,28)/t15?,16?,17?,20-,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331954
PNG
(CHEMBL1289782 | N-(1-Adamantyl)-5-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)[C@@H]1C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1)C(F)(F)F |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24,17:18:21:25.23.24|
Show InChI InChI=1S/C25H29F3N4O2/c1-34-18-4-2-17(3-5-18)20-9-21(25(26,27)28)32-22(30-20)19(13-29-32)23(33)31-24-10-14-6-15(11-24)8-16(7-14)12-24/h2-5,13-16,20-21,30H,6-12H2,1H3,(H,31,33)/t14?,15?,16?,20-,21+,24?/m0/s1
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331957
PNG
(CHEMBL1289893 | N-(1-Adamantyl)-5-pyridin-3-yl-7-(...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1cccnc1 |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/C23H26F3N5O/c24-23(25,26)19-7-18(16-2-1-3-27-11-16)29-20-17(12-28-31(19)20)21(32)30-22-8-13-4-14(9-22)6-15(5-13)10-22/h1-3,11-15,18-19,29H,4-10H2,(H,30,32)/t13?,14?,15?,18-,19+,22?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331953
PNG
(CHEMBL1289680 | N-(1-Adamantyl)-5-(4-chlorophenyl)...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1 |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/C24H26ClF3N4O/c25-17-3-1-16(2-4-17)19-8-20(24(26,27)28)32-21(30-19)18(12-29-32)22(33)31-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,12-15,19-20,30H,5-11H2,(H,31,33)/t13?,14?,15?,19-,20+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331961
PNG
(CHEMBL1290107 | N-(1-Adamantyl)-5-methyl-7-phenyl-...)
Show SMILES C[C@@H]1C[C@H](c2ccccc2)n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1 |r,THB:22:21:18:24.23.25,22:23:20.21.26:18,25:23:20:26.17.18,25:17:20:24.22.23,16:17:20:24.22.23|
Show InChI InChI=1S/C24H30N4O/c1-15-7-21(19-5-3-2-4-6-19)28-22(26-15)20(14-25-28)23(29)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h2-6,14-18,21,26H,7-13H2,1H3,(H,27,29)/t15-,16?,17?,18?,21-,24?/m1/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331955
PNG
(CHEMBL1289783 | N-(1-Adamantyl)-5-(4-ethyphenyl)-7...)
Show SMILES CCc1ccc(cc1)[C@@H]1C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1)C(F)(F)F |r,THB:23:22:19:25.24.26,23:24:21.22.27:19,26:24:21:27.18.19,26:18:21:25.23.24,17:18:21:25.23.24|
Show InChI InChI=1S/C26H31F3N4O/c1-2-15-3-5-19(6-4-15)21-10-22(26(27,28)29)33-23(31-21)20(14-30-33)24(34)32-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-6,14,16-18,21-22,31H,2,7-13H2,1H3,(H,32,34)/t16?,17?,18?,21-,22+,25?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331962
PNG
(CHEMBL1290215 | N-(1-Adamantyl)-7-trifluoromethyl-...)
Show SMILES FC(F)(F)[C@H]1CCNc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2 |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/C18H23F3N4O/c19-18(20,21)14-1-2-22-15-13(9-23-25(14)15)16(26)24-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,14,22H,1-8H2,(H,24,26)/t10?,11?,12?,14-,17?/m1/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331958
PNG
(CHEMBL1290006 | N-(1-Adamantyl)-5-tert-butyl-7-(tr...)
Show SMILES CC(C)(C)[C@@H]1C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1)C(F)(F)F |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/C22H31F3N4O/c1-20(2,3)16-7-17(22(23,24)25)29-18(27-16)15(11-26-29)19(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h11-14,16-17,27H,4-10H2,1-3H3,(H,28,30)/t12?,13?,14?,16-,17+,21?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331966
PNG
(CHEMBL1290440 | N-(1-Adamantyl)-5-phenyl-7-(triflu...)
Show SMILES FC(F)(F)c1cc(nc2c(cnn12)C(=O)NC12CC3CC(CC(C3)C1)C2)-c1ccccc1 |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/C24H23F3N4O/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/h1-5,9,13-16H,6-8,10-12H2,(H,30,32)
PDB

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331950
PNG
(CHEMBL1289572 | N-{[5-Phenyl-7-(trifluoromethyl)-4...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(CNC34CC5CC(CC(C5)C3)C4)cnn12)c1ccccc1 |r,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18,11:12:15:19.17.18|
Show InChI InChI=1S/C24H29F3N4/c25-24(26,27)21-9-20(18-4-2-1-3-5-18)30-22-19(14-29-31(21)22)13-28-23-10-15-6-16(11-23)8-17(7-15)12-23/h1-5,14-17,20-21,28,30H,6-13H2/t15?,16?,17?,20-,21+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331948
PNG
(CHEMBL1289463 | N-(1-Adamantyl)-4-methyl-7-trifluo...)
Show SMILES CN1[C@@H](C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c12)C(F)(F)F)c1ccccc1 |r,THB:17:16:13:19.18.20,17:18:15.16.21:13,20:18:15:21.12.13,20:12:15:19.17.18,11:12:15:19.17.18|
Show InChI InChI=1S/C25H29F3N4O/c1-31-20(18-5-3-2-4-6-18)10-21(25(26,27)28)32-23(31)19(14-29-32)22(33)30-24-11-15-7-16(12-24)9-17(8-15)13-24/h2-6,14-17,20-21H,7-13H2,1H3,(H,30,33)/t15?,16?,17?,20-,21+,24?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
Calcium-sensing receptor (CaSR)


(Homo sapiens (Human))
BDBM50331949
PNG
(CHEMBL1289464 | N-[5-Phenyl-7-(trifluoromethyl)-4,...)
Show SMILES FC(F)(F)[C@H]1C[C@H](Nc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cnn12)c1ccccc1 |r,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19,11:13:16:20.18.19|
Show InChI InChI=1S/C24H27F3N4O/c25-24(26,27)20-9-18(17-4-2-1-3-5-17)29-21-19(13-28-31(20)21)30-22(32)23-10-14-6-15(11-23)8-16(7-14)12-23/h1-5,13-16,18,20,29H,6-12H2,(H,30,32)/t14?,15?,16?,18-,20+,23?/m0/s1
PDB

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting


Bioorg Med Chem 18: 8501-11 (2010)


Article DOI: 10.1016/j.bmc.2010.10.035
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%