Compile Data Set for Download or QSAR
Found 832 with Last Name = 'noeske' and Initial = 't'
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296674((E)-1-Adamantan-1-yl-3-quinolin-3-yl-propenone | C...)
Show SMILES O=C(\C=C\c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H23NO/c24-21(22-11-16-7-17(12-22)9-18(8-16)13-22)6-5-15-10-19-3-1-2-4-20(19)23-14-15/h1-6,10,14,16-18H,7-9,11-13H2/b6-5+
Affinity DataKi:  21nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296665(Adamantan-1-yl-[2-(6-morpholin-4-yl-2-pyridin-3-yl...)
Show SMILES O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H30N2O2/c26-22(23-11-15-7-16(12-23)9-17(8-15)13-23)20-10-19(20)18-1-2-21(24-14-18)25-3-5-27-6-4-25/h1-2,14-17,19-20H,3-13H2
Affinity DataKi:  24nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(Homo sapiens (Human))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296665(Adamantan-1-yl-[2-(6-morpholin-4-yl-2-pyridin-3-yl...)
Show SMILES O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H30N2O2/c26-22(23-11-15-7-16(12-23)9-17(8-15)13-23)20-10-19(20)18-1-2-21(24-14-18)25-3-5-27-6-4-25/h1-2,14-17,19-20H,3-13H2
Affinity DataKi:  110nMAssay Description:Binding affinity to human GluR1 by FLIPR assayMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296677(Adamantan-1-yl-(2-quinolin-3-yl-cyclopropyl)-metha...)
Show SMILES O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H25NO/c25-22(23-10-14-5-15(11-23)7-16(6-14)12-23)20-9-19(20)18-8-17-3-1-2-4-21(17)24-13-18/h1-4,8,13-16,19-20H,5-7,9-12H2
Affinity DataKi:  137nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296676((E)-1-Adamantan-1-yl-3-(4-methoxy-3-methyl-phenyl)...)
Show SMILES COc1ncc(\C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1C
Show InChI InChI=1S/C20H25NO2/c1-13-5-14(12-21-19(13)23-2)3-4-18(22)20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,12,15-17H,6-11H2,1-2H3/b4-3+
Affinity DataKi:  294nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296679(Adamantan-1-yl-[2-(6-methoxy-pyridin-3-yl)-cyclopr...)
Show SMILES COc1ccc(cn1)C1CC1C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
Affinity DataKi:  304nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296675((E)-1-Adamantan-1-yl-3-(2,3-dihydro-benzo[1,4]diox...)
Show SMILES O=C(\C=C\c1cnc2OCCOc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H23NO3/c22-18(20-9-14-5-15(10-20)7-16(6-14)11-20)2-1-13-8-17-19(21-12-13)24-4-3-23-17/h1-2,8,12,14-16H,3-7,9-11H2/b2-1+
Affinity DataKi:  641nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296674((E)-1-Adamantan-1-yl-3-quinolin-3-yl-propenone | C...)
Show SMILES O=C(\C=C\c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C22H23NO/c24-21(22-11-16-7-17(12-22)9-18(8-16)13-22)6-5-15-10-19-3-1-2-4-20(19)23-14-15/h1-6,10,14,16-18H,7-9,11-13H2/b6-5+
Affinity DataKi:  807nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296676((E)-1-Adamantan-1-yl-3-(4-methoxy-3-methyl-phenyl)...)
Show SMILES COc1ncc(\C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1C
Show InChI InChI=1S/C20H25NO2/c1-13-5-14(12-21-19(13)23-2)3-4-18(22)20-9-15-6-16(10-20)8-17(7-15)11-20/h3-5,12,15-17H,6-11H2,1-2H3/b4-3+
Affinity DataKi:  5.15E+3nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296673((E)-4,4-Dimethyl-1-quinolin-3-yl-pent-1-en-3-one |...)
Show SMILES CC(C)(C)C(=O)\C=C\c1cnc2ccccc2c1
Show InChI InChI=1S/C16H17NO/c1-16(2,3)15(18)9-8-12-10-13-6-4-5-7-14(13)17-11-12/h4-11H,1-3H3/b9-8+
Affinity DataKi:  5.23E+3nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296675((E)-1-Adamantan-1-yl-3-(2,3-dihydro-benzo[1,4]diox...)
Show SMILES O=C(\C=C\c1cnc2OCCOc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H23NO3/c22-18(20-9-14-5-15(10-20)7-16(6-14)11-20)2-1-13-8-17-19(21-12-13)24-4-3-23-17/h1-2,8,12,14-16H,3-7,9-11H2/b2-1+
Affinity DataKi:  6.23E+3nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296678(Adamantan-1-yl-(2-pyridin-3-yl-cyclopropyl)-methan...)
Show SMILES O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H23NO/c21-18(17-7-16(17)15-2-1-3-20-11-15)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,11-14,16-17H,4-10H2
Affinity DataKi:  7.04E+3nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296668(3-(2-chloro-6-methylquinolin-3-yl)-1-phenylprop-2-...)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C19H14ClNO/c1-13-7-9-17-16(11-13)12-15(19(20)21-17)8-10-18(22)14-5-3-2-4-6-14/h2-12H,1H3/b10-8+
Affinity DataKi:  9.18E+3nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296666(3-(2-chloro-6-methylquinolin-3-yl)-1-(thiophen-2-y...)
Show SMILES Cc1ccc2nc(Cl)c(\C=C\C(=O)c3cccs3)cc2c1
Show InChI InChI=1S/C17H12ClNOS/c1-11-4-6-14-13(9-11)10-12(17(18)19-14)5-7-15(20)16-3-2-8-21-16/h2-10H,1H3/b7-5+
Affinity DataKi:  9.93E+3nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296669(3-(2-chloro-7-methylquinolin-3-yl)-1-(thiophen-2-y...)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3cccs3)c(Cl)nc2c1
Show InChI InChI=1S/C17H12ClNOS/c1-11-4-5-12-10-13(17(18)19-14(12)9-11)6-7-15(20)16-3-2-8-21-16/h2-10H,1H3/b7-6+
Affinity DataKi:  1.72E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296679(Adamantan-1-yl-[2-(6-methoxy-pyridin-3-yl)-cyclopr...)
Show SMILES COc1ccc(cn1)C1CC1C(=O)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C20H25NO2/c1-23-18-3-2-15(11-21-18)16-7-17(16)19(22)20-8-12-4-13(9-20)6-14(5-12)10-20/h2-3,11-14,16-17H,4-10H2,1H3
Affinity DataKi:  1.84E+4nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296678(Adamantan-1-yl-(2-pyridin-3-yl-cyclopropyl)-methan...)
Show SMILES O=C(C1CC1c1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H23NO/c21-18(17-7-16(17)15-2-1-3-20-11-15)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,11-14,16-17H,4-10H2
Affinity DataKi:  2.29E+4nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296665(Adamantan-1-yl-[2-(6-morpholin-4-yl-2-pyridin-3-yl...)
Show SMILES O=C(C1CC1c1ccc(nc1)N1CCOCC1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H30N2O2/c26-22(23-11-15-7-16(12-23)9-17(8-15)13-23)20-10-19(20)18-1-2-21(24-14-18)25-3-5-27-6-4-25/h1-2,14-17,19-20H,3-13H2
Affinity DataKi:  2.78E+4nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296673((E)-4,4-Dimethyl-1-quinolin-3-yl-pent-1-en-3-one |...)
Show SMILES CC(C)(C)C(=O)\C=C\c1cnc2ccccc2c1
Show InChI InChI=1S/C16H17NO/c1-16(2,3)15(18)9-8-12-10-13-6-4-5-7-14(13)17-11-12/h4-11H,1-3H3/b9-8+
Affinity DataKi:  3.06E+4nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296700(1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-phenylbu...)
Show SMILES CC(CC(=O)c1ccc2OCCOc2c1)c1ccccc1
Show InChI InChI=1S/C18H18O3/c1-13(14-5-3-2-4-6-14)11-16(19)15-7-8-17-18(12-15)21-10-9-20-17/h2-8,12-13H,9-11H2,1H3
Affinity DataKi:  3.62E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296696(2-(biphenyl-4-yl)-5-(4-butoxyphenyl)-1,3,4-thiadia...)
Show SMILES CCCCOc1ccc(cc1)-c1nnc(s1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2OS/c1-2-3-17-27-22-15-13-21(14-16-22)24-26-25-23(28-24)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-16H,2-3,17H2,1H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296697((4-chlorophenyl)(2,3,4,5-tetrahydrobenzo[b]oxepin-...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc2OCCCCc2c1
Show InChI InChI=1S/C17H15ClO2/c18-15-7-4-12(5-8-15)17(19)14-6-9-16-13(11-14)3-1-2-10-20-16/h4-9,11H,1-3,10H2
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296698(2,4-bis(3-bromo-4-methoxyphenyl)-6-methylpyridine ...)
Show SMILES COc1ccc(cc1Br)-c1cc(C)nc(c1)-c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C20H17Br2NO2/c1-12-8-15(13-4-6-19(24-2)16(21)9-13)11-18(23-12)14-5-7-20(25-3)17(22)10-14/h4-11H,1-3H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296695(CHEMBL537963 | N-((9-ethyl-9H-carbazol-3-yl)methyl...)
Show SMILES CCn1c2ccccc2c2cc(\C=N\c3ccc(C)c(F)c3)ccc12
Show InChI InChI=1S/C22H19FN2/c1-3-25-21-7-5-4-6-18(21)19-12-16(9-11-22(19)25)14-24-17-10-8-15(2)20(23)13-17/h4-14H,3H2,1-2H3/b24-14+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296694(1-benzyl-6,7-dimethoxy-3,3-dimethyl-3,4-dihydroiso...)
Show SMILES COc1cc2CC(C)(C)N=C(Cc3ccccc3)c2cc1OC
Show InChI InChI=1S/C20H23NO2/c1-20(2)13-15-11-18(22-3)19(23-4)12-16(15)17(21-20)10-14-8-6-5-7-9-14/h5-9,11-12H,10,13H2,1-4H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296693(6-chloro-7-(4-fluorobenzyloxy)-4-phenyl-2H-chromen...)
Show SMILES Fc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1
Show InChI InChI=1S/C22H14ClFO3/c23-19-10-18-17(15-4-2-1-3-5-15)11-22(25)27-20(18)12-21(19)26-13-14-6-8-16(24)9-7-14/h1-12H,13H2
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296692((4-(4-methoxy-3-methylbenzoyl)phenyl)(3-methoxy-4-...)
Show SMILES COc1ccc(cc1C)C(=O)c1ccc(cc1)C(=O)c1ccc(C)c(OC)c1
Show InChI InChI=1S/C24H22O4/c1-15-5-6-20(14-22(15)28-4)24(26)18-9-7-17(8-10-18)23(25)19-11-12-21(27-3)16(2)13-19/h5-14H,1-4H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296691(3-(4-chlorophenyl)-1-(4-phenoxyphenyl)prop-2-en-1-...)
Show SMILES Clc1ccc(\C=C\C(=O)c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H15ClO2/c22-18-11-6-16(7-12-18)8-15-21(23)17-9-13-20(14-10-17)24-19-4-2-1-3-5-19/h1-15H/b15-8+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296690(7-(4-fluorobenzyloxy)-4-phenyl-2H-chromen-2-one | ...)
Show SMILES Fc1ccc(COc2ccc3c(cc(=O)oc3c2)-c2ccccc2)cc1
Show InChI InChI=1S/C22H15FO3/c23-17-8-6-15(7-9-17)14-25-18-10-11-19-20(16-4-2-1-3-5-16)13-22(24)26-21(19)12-18/h1-13H,14H2
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296687(1-(4-methoxyphenyl)-3-(4-(thietan-3-yloxy)phenyl)p...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OC2CSC2)cc1
Show InChI InChI=1S/C19H18O3S/c1-21-16-9-5-15(6-10-16)19(20)11-4-14-2-7-17(8-3-14)22-18-12-23-13-18/h2-11,18H,12-13H2,1H3/b11-4+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296685((3,4-dimethylphenyl)(4-phenoxyphenyl)methanone | C...)
Show SMILES Cc1ccc(cc1C)C(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H18O2/c1-15-8-9-18(14-16(15)2)21(22)17-10-12-20(13-11-17)23-19-6-4-3-5-7-19/h3-14H,1-2H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296684(3-(1-phenylethoxy)-6H-benzo[c]chromen-6-one | CHEM...)
Show SMILES CC(Oc1ccc2c(c1)oc(=O)c1ccccc21)c1ccccc1
Show InChI InChI=1S/C21H16O3/c1-14(15-7-3-2-4-8-15)23-16-11-12-18-17-9-5-6-10-19(17)21(22)24-20(18)13-16/h2-14H,1H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296682(8-hexyl-7-methoxy-2,3-dihydrocyclopenta[c]chromen-...)
Show SMILES CCCCCCc1cc2c3CCCc3c(=O)oc2cc1OC
Show InChI InChI=1S/C19H24O3/c1-3-4-5-6-8-13-11-16-14-9-7-10-15(14)19(20)22-18(16)12-17(13)21-2/h11-12H,3-10H2,1-2H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296671(3-(2-chloro-7-methylquinolin-3-yl)-1-(2,4-dimethyl...)
Show SMILES Cc1coc(C)c1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl
Show InChI InChI=1S/C19H16ClNO2/c1-11-4-5-14-9-15(19(20)21-16(14)8-11)6-7-17(22)18-12(2)10-23-13(18)3/h4-10H,1-3H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296670(3-(2-chloro-6-methylquinolin-3-yl)-1-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
Show InChI InChI=1S/C20H16ClNO2/c1-13-3-9-18-16(11-13)12-15(20(21)22-18)6-10-19(23)14-4-7-17(24-2)8-5-14/h3-12H,1-2H3/b10-6+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296664(3-(2-chloro-7-methylquinolin-3-yl)-1-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc2ccc(C)cc2nc1Cl
Show InChI InChI=1S/C20H16ClNO2/c1-13-3-4-15-12-16(20(21)22-18(15)11-13)7-10-19(23)14-5-8-17(24-2)9-6-14/h3-12H,1-2H3/b10-7+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296681(4-acetylphenyl 4-butylcyclohexanecarboxylate | CHE...)
Show SMILES CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C19H26O3/c1-3-4-5-15-6-8-17(9-7-15)19(21)22-18-12-10-16(11-13-18)14(2)20/h10-13,15,17H,3-9H2,1-2H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296688(4-cyclohexylphenyl 4-(hexyloxy)benzoate | CHEMBL56...)
Show SMILES CCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C25H32O3/c1-2-3-4-8-19-27-23-15-13-22(14-16-23)25(26)28-24-17-11-21(12-18-24)20-9-6-5-7-10-20/h11-18,20H,2-10,19H2,1H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296686(7-(3-phenoxybenzyloxy)-4-phenyl-2H-chromen-2-one |...)
Show SMILES O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1
Show InChI InChI=1S/C28H20O4/c29-28-18-26(21-9-3-1-4-10-21)25-15-14-23(17-27(25)32-28)30-19-20-8-7-13-24(16-20)31-22-11-5-2-6-12-22/h1-18H,19H2
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296699(3-(4-(2,4-dichlorobenzyloxy)phenyl)-1-(4-ethoxyphe...)
Show SMILES CCOc1ccc(cc1)C(=O)\C=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C24H20Cl2O3/c1-2-28-21-12-7-18(8-13-21)24(27)14-5-17-3-10-22(11-4-17)29-16-19-6-9-20(25)15-23(19)26/h3-15H,2,16H2,1H3/b14-5+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296680(4-acetylphenyl biphenyl-4-carboxylate | CHEMBL5619...)
Show SMILES CC(=O)c1ccc(OC(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H16O3/c1-15(22)16-11-13-20(14-12-16)24-21(23)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-14H,1H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296667(3-(2-chloro-8-methylquinolin-3-yl)-1-phenylprop-2-...)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C19H14ClNO/c1-13-6-5-9-15-12-16(19(20)21-18(13)15)10-11-17(22)14-7-3-2-4-8-14/h2-12H,1H3/b11-10+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296689((4-(4-bromobenzylideneamino)phenyl)(phenyl)methano...)
Show SMILES Brc1ccc(\C=N\c2ccc(cc2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C20H14BrNO/c21-18-10-6-15(7-11-18)14-22-19-12-8-17(9-13-19)20(23)16-4-2-1-3-5-16/h1-14H/b22-14+
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 1(RAT)
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296683(4-(5-pentylpyridin-2-yl)phenyl 4-ethylcyclohexanec...)
Show SMILES CCCCCc1ccc(nc1)-c1ccc(OC(=O)C2CCC(CC)CC2)cc1
Show InChI InChI=1S/C25H33NO2/c1-3-5-6-7-20-10-17-24(26-18-20)21-13-15-23(16-14-21)28-25(27)22-11-8-19(4-2)9-12-22/h10,13-19,22H,3-9,11-12H2,1-2H3
Affinity DataKi: >4.00E+4nMAssay Description:Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs b...More data for this Ligand-Target Pair
TargetBile salt export pump(Rattus norvegicus)
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM81939(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
Affinity DataKi:  9.25E+4nMAssay Description:Inhibition of BSEP in Sprague-Dawley rat canalicular membrane vesicles assessed as reduction in ATP-dependent [3H]-taurocholate uptakeMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296667(3-(2-chloro-8-methylquinolin-3-yl)-1-phenylprop-2-...)
Show SMILES Cc1cccc2cc(\C=C\C(=O)c3ccccc3)c(Cl)nc12
Show InChI InChI=1S/C19H14ClNO/c1-13-6-5-9-15-12-16(19(20)21-18(13)15)10-11-17(22)14-7-3-2-4-8-14/h2-12H,1H3/b11-10+
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296670(3-(2-chloro-6-methylquinolin-3-yl)-1-(4-methoxyphe...)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cc2cc(C)ccc2nc1Cl
Show InChI InChI=1S/C20H16ClNO2/c1-13-3-9-18-16(11-13)12-15(20(21)22-18)6-10-19(23)14-4-7-17(24-2)8-5-14/h3-12H,1-2H3/b10-6+
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296671(3-(2-chloro-7-methylquinolin-3-yl)-1-(2,4-dimethyl...)
Show SMILES Cc1coc(C)c1C(=O)C=Cc1cc2ccc(C)cc2nc1Cl
Show InChI InChI=1S/C19H16ClNO2/c1-11-4-5-14-9-15(19(20)21-16(14)8-11)6-7-17(22)18-12(2)10-23-13(18)3/h4-10H,1-3H3
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296677(Adamantan-1-yl-(2-quinolin-3-yl-cyclopropyl)-metha...)
Show SMILES O=C(C1CC1c1cnc2ccccc2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C23H25NO/c25-22(23-10-14-5-15(11-23)7-16(6-14)12-23)20-9-19(20)18-8-17-3-1-2-4-21(17)24-13-18/h1-4,8,13-16,19-20H,5-7,9-12H2
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Merz Pharmaceuticals GmbH

Curated by ChEMBL
LigandPNGBDBM50296669(3-(2-chloro-7-methylquinolin-3-yl)-1-(thiophen-2-y...)
Show SMILES Cc1ccc2cc(\C=C\C(=O)c3cccs3)c(Cl)nc2c1
Show InChI InChI=1S/C17H12ClNOS/c1-11-4-5-12-10-13(17(18)19-14(12)9-11)6-7-15(20)16-3-2-8-21-16/h2-10H,1H3/b7-6+
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [3H]MPEP from mGluR5 in rat cortical membrane after 60 mins by liquid scintillation countingMore data for this Ligand-Target Pair
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