Compile Data Set for Download or QSAR
Found 721 Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor'
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50175387((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
Affinity DataIC50: 0.00300nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50378146(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
Affinity DataIC50: 0.00300nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50161093((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
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
Affinity DataIC50: 0.00300nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50175387((R)-2-(2-hydroxy-3-(2-methyl-1-(naphthalen-2-yl)pr...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N
Show InChI InChI=1S/C24H26N2O2/c1-24(2,14-18-11-12-19-7-3-4-8-20(19)13-18)26-16-22(27)17-28-23-10-6-5-9-21(23)15-25/h3-13,22,26-27H,14,16-17H2,1-2H3/t22-/m1/s1
Affinity DataIC50: 0.0180nMAssay Description:Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50299546(3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N
Show InChI InChI=1S/C27H30N2O4/c1-27(2,15-20-7-10-21-5-3-4-6-22(21)14-20)29-17-24(30)18-33-25-11-8-19(9-12-26(31)32)13-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)/t24-/m1/s1
Affinity DataIC50: 0.0220nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50378146(CHEMBL1204009)
Show SMILES CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(c1)C#N
Show InChI InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-10-13-27(25(15-21)18-30)35-20-26(32)19-31-29(2,3)17-22-9-12-23-7-5-6-8-24(23)16-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3/t26-/m1/s1
Affinity DataIC50: 0.0340nMAssay Description:Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50161093((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
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
Affinity DataIC50: 0.0580nMAssay Description:Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50299546(3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthal...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1C#N
Show InChI InChI=1S/C27H30N2O4/c1-27(2,15-20-7-10-21-5-3-4-6-22(21)14-20)29-17-24(30)18-33-25-11-8-19(9-12-26(31)32)13-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)/t24-/m1/s1
Affinity DataIC50: 0.200nMAssay Description:Antagonist activity at human calcium receptor expressed in HEK293 4.0-7 cells assessed as inhibition of intracellular calcium release by FLIPR assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308093(1-[3-(2-Hydroxy-ethoxy)-benzyl]-4-(4-isopropyl-phe...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=S)n(Cc2cccc(OCCO)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H28N2O3S/c1-4-15-33-25-12-13-27-26(18-25)28(23-10-8-22(9-11-23)20(2)3)30-29(35)31(27)19-21-6-5-7-24(17-21)34-16-14-32/h1,5-13,17-18,20,32H,14-16,19H2,2-3H3
Affinity DataIC50: 0.400nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Rattus norvegicus)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50272596(CHEMBL4126450)
Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12
Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1
Affinity DataIC50: 0.470nMAssay Description:Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISAMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Rattus norvegicus)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50272602(CHEMBL4126877)
Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12
Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1
Affinity DataIC50: 0.910nMAssay Description:Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISAMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339725((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
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
Affinity DataIC50: 0.940nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Rattus norvegicus)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50272605(CHEMBL4128542)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1
Affinity DataIC50: 1.40nMAssay Description:Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISAMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308090(1-(3-Ethoxy-4-methoxy-benzyl)-4-(4-isopropyl-pheny...)
Show SMILES CCOc1cc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)ccc1OC
Show InChI InChI=1S/C30H30N2O4/c1-6-16-36-24-13-14-26-25(18-24)29(23-11-9-22(10-12-23)20(3)4)31-30(33)32(26)19-21-8-15-27(34-5)28(17-21)35-7-2/h1,8-15,17-18,20H,7,16,19H2,2-5H3
Affinity DataIC50: 1.40nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308081(4-(4-Isopropyl-phenyl)-1-(4-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccc(C)cc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-16-32-24-14-15-26-25(17-24)27(23-12-10-22(11-13-23)19(2)3)29-28(31)30(26)18-21-8-6-20(4)7-9-21/h1,6-15,17,19H,16,18H2,2-4H3
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50325523(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3SC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O2S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
Affinity DataIC50: 1.60nMAssay Description:Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilizationMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339726((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
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
Affinity DataIC50: 1.70nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339727((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
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
Affinity DataIC50: 1.70nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308087(4-(4-Isopropyl-phenyl)-1-(3-methyl-benzyl)-6-propa...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(C)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C28H26N2O2/c1-5-15-32-24-13-14-26-25(17-24)27(23-11-9-22(10-12-23)19(2)3)29-28(31)30(26)18-21-8-6-7-20(4)16-21/h1,6-14,16-17,19H,15,18H2,2-4H3
Affinity DataIC50: 1.80nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339728((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
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
Affinity DataIC50: 2nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50325525(2-((2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyet...)
Show SMILES COCCn1c(nc2c(c(Cc3nccs3)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C25H26F3N3O2S/c1-15(2)16-5-7-17(8-6-16)24-30-22-21(25(26,27)28)18(14-20-29-9-12-34-20)13-19(33-4)23(22)31(24)10-11-32-3/h5-9,12-13,15H,10-11,14H2,1-4H3
Affinity DataIC50: 2nMAssay Description:Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilizationMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Rattus norvegicus)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50272606(CHEMBL4125917)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12
Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1
Affinity DataIC50: 2.10nMAssay Description:Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISAMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339729((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
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
Affinity DataIC50: 2.20nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339341((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
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
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339730((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
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
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339341((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
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
Affinity DataIC50: 2.30nMAssay Description:Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339731((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
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
Affinity DataIC50: 2.40nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308103(CHEMBL590539 | N-{3-[4-(4-Isopropyl-pheny)-2-oxo-6...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(NC(=O)CN3CCN(C)CC3)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C34H37N5O3/c1-5-19-42-29-13-14-31-30(21-29)33(27-11-9-26(10-12-27)24(2)3)36-34(41)39(31)22-25-7-6-8-28(20-25)35-32(40)23-38-17-15-37(4)16-18-38/h1,6-14,20-21,24H,15-19,22-23H2,2-4H3,(H,35,40)
Affinity DataIC50: 2.40nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308108(1-Benzyl-5-cyclopropylmethyl-6-hydroxy-4-(4-isopro...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC3CC3)c12
Show InChI InChI=1S/C28H28N2O2/c1-18(2)21-10-12-22(13-11-21)27-26-23(16-19-8-9-19)25(31)15-14-24(26)30(28(32)29-27)17-20-6-4-3-5-7-20/h3-7,10-15,18-19,31H,8-9,16-17H2,1-2H3
Affinity DataIC50: 2.5nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50325524(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3S(C)=O)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3S/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)38(5)35)16-22(37-4)25(24)34(26)13-14-36-3/h6-12,16-17H,13-15H2,1-5H3
Affinity DataIC50: 2.60nMAssay Description:Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilizationMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308089(1-(3-Methoxy-benzyl)-4-(4-isopropyl-phenyl)-6-prop...)
Show SMILES COc1cccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)c1
Show InChI InChI=1S/C28H26N2O3/c1-5-15-33-24-13-14-26-25(17-24)27(22-11-9-21(10-12-22)19(2)3)29-28(31)30(26)18-20-7-6-8-23(16-20)32-4/h1,6-14,16-17,19H,15,18H2,2-4H3
Affinity DataIC50: 2.70nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50161093((R)-2-chloro-6-(2-hydroxy-3-(2-methyl-1-(naphthale...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
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
Affinity DataIC50: 3nMAssay Description:Binding affinity to human parathyroid calcium receptor 1 expressed in HEK293 4.0-7 cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339732((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
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
Affinity DataIC50: 3nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339329(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)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308091(CHEMBL597194 | {3-[4-(4-Isopropyl-phenyl)-2-oxo-6-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2cccc(OCC(O)=O)c2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C29H26N2O5/c1-4-14-35-24-12-13-26-25(16-24)28(22-10-8-21(9-11-22)19(2)3)30-29(34)31(26)17-20-6-5-7-23(15-20)36-18-27(32)33/h1,5-13,15-16,19H,14,17-18H2,2-3H3,(H,32,33)
Affinity DataIC50: 3.40nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339323(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)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308106(5-Allyl-1-benzyl-6-hydroxy-4-(4-isopropyl-phenyl)-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(O)c(CC=C)c12
Show InChI InChI=1S/C27H26N2O2/c1-4-8-22-24(30)16-15-23-25(22)26(21-13-11-20(12-14-21)18(2)3)28-27(31)29(23)17-19-9-6-5-7-10-19/h4-7,9-16,18,30H,1,8,17H2,2-3H3
Affinity DataIC50: 3.90nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50325521(2-(4-isopropylphenyl)-7-methoxy-1-(2-methoxyethyl)...)
Show SMILES COCCn1c(nc2c(c(Cc3cccnc3OC)cc(OC)c12)C(F)(F)F)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C28H30F3N3O3/c1-17(2)18-8-10-19(11-9-18)26-33-24-23(28(29,30)31)21(15-20-7-6-12-32-27(20)37-5)16-22(36-4)25(24)34(26)13-14-35-3/h6-12,16-17H,13-15H2,1-5H3
Affinity DataIC50: 4nMAssay Description:Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilizationMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50337114(2'-((1R)-1-{(2R)-3-[2-Methyl-1-(naphthalen-2-yl)pr...)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccc1-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H35NO4/c1-22(29-10-6-7-11-30(29)25-14-16-26(17-15-25)31(35)36)37-21-28(34)20-33-32(2,3)19-23-12-13-24-8-4-5-9-27(24)18-23/h4-18,22,28,33-34H,19-21H2,1-3H3,(H,35,36)/t22-,28-/m1/s1
Affinity DataIC50: 4nMAssay Description:Antagonist activity at human CaSR expressed in rat PC12h cells by reporter gene assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50325522(4-bromo-2-(4-isopropylphenyl)-7-methoxy-1-(2-metho...)
Show SMILES COCCn1c(nc2c(Br)c(Cc3cccnc3SC)cc(OC)c12)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C27H30BrN3O2S/c1-17(2)18-8-10-19(11-9-18)26-30-24-23(28)21(15-20-7-6-12-29-27(20)34-5)16-22(33-4)25(24)31(26)13-14-32-3/h6-12,16-17H,13-15H2,1-5H3
Affinity DataIC50: 4nMAssay Description:Antagonist activity at human CaSR expressed in hamster fibroblasts assessed as inhibition of calcium mobilizationMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339731((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
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
Affinity DataIC50: 4.10nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308084(4-(4-Isopropyl-phenyl)-1-(4-methoxy-benzyl)-6-prop...)
Show SMILES COc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C28H26N2O3/c1-5-16-33-24-14-15-26-25(17-24)27(22-10-8-21(9-11-22)19(2)3)29-28(31)30(26)18-20-6-12-23(32-4)13-7-20/h1,6-15,17,19H,16,18H2,2-4H3
Affinity DataIC50: 4.20nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339725((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
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
Affinity DataIC50: 4.20nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308082(1-(4-Ethyl-benzyl)-4-(4-isopropyl-phenyl)-6-propar...)
Show SMILES CCc1ccc(Cn2c3ccc(OCC#C)cc3c(nc2=O)-c2ccc(cc2)C(C)C)cc1
Show InChI InChI=1S/C29H28N2O2/c1-5-17-33-25-15-16-27-26(18-25)28(24-13-11-23(12-14-24)20(3)4)30-29(32)31(27)19-22-9-7-21(6-2)8-10-22/h1,7-16,18,20H,6,17,19H2,2-4H3
Affinity DataIC50: 4.20nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Rattus norvegicus)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50272607(CHEMBL4126057)
Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12
Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18-;;/m1../s1
Affinity DataIC50: 4.30nMAssay Description:Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISAMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339325(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)
Affinity DataIC50: 4.40nMAssay Description:Inhibition of CaSR expressed in CHO cells incubated with compound for 10 mins measured after 1 hr by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50308080(1-Benzyl-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(=O)n(Cc2ccccc2)c2ccc(OCC#C)cc12
Show InChI InChI=1S/C27H24N2O2/c1-4-16-31-23-14-15-25-24(17-23)26(22-12-10-21(11-13-22)19(2)3)28-27(30)29(25)18-20-8-6-5-7-9-20/h1,5-15,17,19H,16,18H2,2-3H3
Affinity DataIC50: 4.40nMAssay Description:Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibition of extracellular calcium-induced intracellular calcium transient by...More data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339734((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
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
Affinity DataIC50: 4.60nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50339735(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)
Affinity DataIC50: 4.70nMAssay Description:Antagonist activity at CaSR expressed in CHO cells assessed as inhibition of [35S]GTPgammaS binding after 10 mins by scintillation countingMore data for this Ligand-Target Pair
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50299545(3-{4-[((2R)-3-{[1,1-Dimethyl-2-(2-naphthalenyl)eth...)
Show SMILES CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-26(2,16-20-7-11-21-5-3-4-6-22(21)15-20)27-17-23(28)18-31-24-12-8-19(9-13-24)10-14-25(29)30/h3-9,11-13,15,23,27-28H,10,14,16-18H2,1-2H3,(H,29,30)/t23-/m1/s1
Affinity DataIC50: 4.80nMAssay Description:Displacement of [3H](2-(2-hydroxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone) from human calcium receptor expressed in h...More data for this Ligand-Target Pair
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