Compile Data Set for Download or QSAR
Found 407 with Last Name = 'fujita' and Initial = 'm'
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50122293(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
Affinity DataKi:  0.0726nMAssay Description:Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissueMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50122293(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
Affinity DataKi:  0.0726nMAssay Description:Displacement of [3H]PK11195 from rat PBR receptorMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400876(CHEMBL2204347)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C22H26ClFN2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229593(CHEMBL253596 | N-acetyl-N-(2-methoxycarbonylbenzyl...)
Show SMILES COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
Affinity DataKi:  0.0978nMAssay Description:Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissueMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400875(CHEMBL2204353)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1Cl
Show InChI InChI=1S/C21H24ClFN2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.101nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400874(CHEMBL2086410)
Show SMILES NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C21H24F2N2O2S/c22-17-4-2-1-3-14(17)11-16(20(24)26)13-25-8-6-21(7-9-25)19-15(5-10-27-21)12-18(23)28-19/h1-4,12,16H,5-11,13H2,(H2,24,26)/t16-/m0/s1
Affinity DataKi:  0.106nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400873(CHEMBL2088029)
Show SMILES CC(C)N(C)C(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C25H32F2N2O2S/c1-17(2)28(3)24(30)20(14-18-6-4-5-7-21(18)26)16-29-11-9-25(10-12-29)23-19(8-13-31-25)15-22(27)32-23/h4-7,15,17,20H,8-14,16H2,1-3H3/t20-/m0/s1
Affinity DataKi:  0.137nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400872(CHEMBL2088033)
Show SMILES CNC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C22H26F2N2O2S/c1-25-21(27)17(12-15-4-2-3-5-18(15)23)14-26-9-7-22(8-10-26)20-16(6-11-28-22)13-19(24)29-20/h2-5,13,17H,6-12,14H2,1H3,(H,25,27)/t17-/m0/s1
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50255877(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]PK11195 from rat PBR receptorMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Affinity DataKi:  0.220nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor alpha (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400871(CHEMBL2088030)
Show SMILES CC(C)NC(=O)[C@H](CN1CCC2(CC1)OCCc1cc(F)sc21)Cc1ccccc1F
Show InChI InChI=1S/C24H30F2N2O2S/c1-16(2)27-23(29)19(13-17-5-3-4-6-20(17)25)15-28-10-8-24(9-11-28)22-18(7-12-30-24)14-21(26)31-22/h3-6,14,16,19H,7-13,15H2,1-2H3,(H,27,29)/t19-/m0/s1
Affinity DataKi:  0.231nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
Affinity DataKi:  0.240nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50122293(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
Affinity DataKi:  0.242nMAssay Description:Binding affinity to PBR in human mitochondrial tissueMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50122293(CHEMBL401000 | CHEMBL63064 | N-(2,5-Dimethoxy-benz...)
Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
Affinity DataKi:  0.242nMAssay Description:Displacement of [3H]PK11195 from human PBR receptorMore data for this Ligand-Target Pair
TargetNociceptin receptor(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50400870(CHEMBL559569 | SB-612111)
Show SMILES Cc1cccc2C(O)CC(CN3CCC(CC3)c3c(Cl)cccc3Cl)CCc12
Show InChI InChI=1S/C24H29Cl2NO/c1-16-4-2-5-20-19(16)9-8-17(14-23(20)28)15-27-12-10-18(11-13-27)24-21(25)6-3-7-22(24)26/h2-7,17-18,23,28H,8-15H2,1H3
Affinity DataKi:  0.253nMAssay Description:Displacement of [3H]nociceptin from human recombinant NOP receptor expressed in CHO cells after 60 mins by microbeta scintillation countingMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335260(CHEMBL1651226 | N,N-dihexyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H38N2O2/c1-4-6-8-15-21-31(22-16-9-7-5-2)29(33)28(32)26-24-19-13-14-20-25(24)30(3)27(26)23-17-11-10-12-18-23/h10-14,17-20H,4-9,15-16,21-22H2,1-3H3
Affinity DataKi:  0.299nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335259(CHEMBL1651225 | N,N-dibutyl-2-(1-methyl-2-phenyl-1...)
Show SMILES CCCCN(CCCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C25H30N2O2/c1-4-6-17-27(18-7-5-2)25(29)24(28)22-20-15-11-12-16-21(20)26(3)23(22)19-13-9-8-10-14-19/h8-16H,4-7,17-18H2,1-3H3
Affinity DataKi:  0.300nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
Affinity DataKi:  0.320nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Affinity DataKi:  0.330nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18869(2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenox...)
Show SMILES CC(C)c1cc(Oc2c(Cl)cc(CC(O)=O)cc2Cl)ccc1O
Show InChI InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
Affinity DataKi:  0.370nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM22038(2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexyl-2...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C28H35FN2O2/c1-3-5-7-11-19-31(20-12-8-6-4-2)28(33)27(32)25-23-13-9-10-14-24(23)30-26(25)21-15-17-22(29)18-16-21/h9-10,13-18,30H,3-8,11-12,19-20H2,1-2H3
Affinity DataKi:  0.370nMAssay Description:Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50036402(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
Affinity DataKi:  0.470nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50060095(2-[6,8-Dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]...)
Show SMILES CCCN(CCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H22Cl3N3O/c1-3-9-26(10-4-2)19(28)12-18-20(14-5-7-15(22)8-6-14)25-21-17(24)11-16(23)13-27(18)21/h5-8,11,13H,3-4,9-10,12H2,1-2H3
Affinity DataKi:  0.5nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50036402(CHEMBL46882 | N-[3,5-dimethyl-4-(4'-hydroxy-3'-iso...)
Show SMILES CC(C)c1cc(Oc2c(C)cc(NC(=O)C(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H21NO5/c1-10(2)15-9-14(5-6-16(15)21)25-17-11(3)7-13(8-12(17)4)20-18(22)19(23)24/h5-10,21H,1-4H3,(H,20,22)(H,23,24)
Affinity DataKi:  0.510nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Affinity DataKi:  0.550nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM18860((2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-di...)
Show SMILES N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
Show InChI InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
Affinity DataKi:  0.680nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229594(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
Affinity DataKi:  0.680nMAssay Description:Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissueMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229596(1-(2-chlorophenyl)-N-methyl-N-[(1S)-1-methylpropyl...)
Show SMILES CC[C@H](C)N(C)C(=O)c1cc2ccccc2c(n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3/t14-/m0/s1
Affinity DataKi:  0.730nMAssay Description:Binding affinity to PBR in Sprague-Dawley rat mitochondrial tissueMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274809(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(CP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.840nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274812(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(OCP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.970nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50255877(CHEMBL473435 | N-Fluoroacetyl-N-(2,5-dimethoxybenz...)
Show SMILES COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1
Show InChI InChI=1S/C23H22FNO4/c1-27-19-12-13-21(28-2)17(14-19)16-25(23(26)15-24)20-10-6-7-11-22(20)29-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3
Affinity DataKi:  0.997nMAssay Description:Displacement of [3H]PK11195 from human PBR receptorMore data for this Ligand-Target Pair
TargetGABA A receptor alpha-1/beta-1/gamma-2(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229594(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
Affinity DataKi: >1nMAssay Description:Binding affinity to GABA alpha-1-beta-1-gamma-2 receptorMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229594(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
Affinity DataKi: >1nMAssay Description:Binding affinity to GABA alpha-6-beta-2-gamma-2 receptorMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335268(2-(2-(4-fluorophenyl)-1-methyl-1H-indol-3-yl)-N,N-...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)n(C)c2ccccc12
Show InChI InChI=1S/C29H37FN2O2/c1-4-6-8-12-20-32(21-13-9-7-5-2)29(34)28(33)26-24-14-10-11-15-25(24)31(3)27(26)22-16-18-23(30)19-17-22/h10-11,14-19H,4-9,12-13,20-21H2,1-3H3
Affinity DataKi:  1.07nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50115668(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)phen...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCC(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)
Affinity DataKi:  1.09nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50143220(CHEMBL294625 | N,N-Dihexyl-2-oxo-2-(2-phenyl-1H-in...)
Show SMILES CCCCCCN(CCCCCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C28H36N2O2/c1-3-5-7-14-20-30(21-15-8-6-4-2)28(32)27(31)25-23-18-12-13-19-24(23)29-26(25)22-16-10-9-11-17-22/h9-13,16-19,29H,3-8,14-15,20-21H2,1-2H3
Affinity DataKi:  1.40nMAssay Description:Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229593(CHEMBL253596 | N-acetyl-N-(2-methoxycarbonylbenzyl...)
Show SMILES COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1
Show InChI InChI=1S/C23H21NO4/c1-17(25)24(16-18-10-6-7-13-20(18)23(26)27-2)21-14-8-9-15-22(21)28-19-11-4-3-5-12-19/h3-15H,16H2,1-2H3
Affinity DataKi:  1.40nMAssay Description:Binding affinity to PBR in human mitochondrial tissueMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274846(CHEMBL511862 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(NCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H18Br2NO5P/c1-9(2)12-7-11(3-4-15(12)20)24-16-13(17)5-10(6-14(16)18)19-8-25(21,22)23/h3-7,9,19-20H,8H2,1-2H3,(H2,21,22,23)
Affinity DataKi:  1.51nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335270(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
Affinity DataKi:  1.57nMAssay Description:Displacement of [11C]PK11195 from high affinity binding site of TSPO in human brain membrane homogenate by scintillation countingMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335257(CHEMBL1651223 | N-benzyl-2-(2-(4-fluorophenyl)-1H-...)
Show SMILES CN(Cc1ccccc1)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C24H19FN2O2/c1-27(15-16-7-3-2-4-8-16)24(29)23(28)21-19-9-5-6-10-20(19)26-22(21)17-11-13-18(25)14-12-17/h2-14,26H,15H2,1H3
Affinity DataKi:  1.80nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335270(2-(1-methyl-2-(4-nitrophenyl)-1H-indol-3-yl)-2-oxo...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(cc2)[N+]([O-])=O)n(C)c2ccccc12
Show InChI InChI=1S/C23H25N3O4/c1-4-14-25(15-5-2)23(28)22(27)20-18-8-6-7-9-19(18)24(3)21(20)16-10-12-17(13-11-16)26(29)30/h6-13H,4-5,14-15H2,1-3H3
Affinity DataKi:  1.82nMAssay Description:Displacement of [11C]PK11195 from mixed affinity binding site of TSPO in human brain membrane homogenate by scintillation countingMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274809(3,5-Diiodo-4-(4'-hydroxy-3'-isopropylphenoxy)benzy...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(CP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O5P/c1-9(2)12-7-11(3-4-15(12)19)23-16-13(17)5-10(6-14(16)18)8-24(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  1.84nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50242403((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
Affinity DataKi:  2.17nMAssay Description:Displacement of [125I]T3 from recombinant thyroid hormone receptor beta (unknown origin) expressed in sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50275295(2-[3,5-Dibromo-4-(4'-hydroxy-3'-isopropylphenoxy)p...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(CCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C17H19Br2O5P/c1-10(2)13-9-12(3-4-16(13)20)24-17-14(18)7-11(8-15(17)19)5-6-25(21,22)23/h3-4,7-10,20H,5-6H2,1-2H3,(H2,21,22,23)
Affinity DataKi:  2.5nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Homo sapiens (Human))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50229594(CHEMBL253597 | N-(2-methoxybenzyl)-N-(4-phenoxypyr...)
Show SMILES COc1ccccc1CN(C(C)=O)c1cnccc1Oc1ccccc1
Show InChI InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3
Affinity DataKi:  2.5nMAssay Description:Binding affinity to PBR in human mitochondrial tissueMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274811(CHEMBL457527 | [3,5-Dibromo-4-(4'-hydroxy-3'-isopr...)
Show SMILES CC(C)c1cc(Oc2c(Br)cc(OCP(O)(O)=O)cc2Br)ccc1O
Show InChI InChI=1S/C16H17Br2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  2.51nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50335262(CHEMBL1651228 | N-benzyl-N-ethyl-2-(1-methyl-2-phe...)
Show SMILES CCN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12
Show InChI InChI=1S/C26H24N2O2/c1-3-28(18-19-12-6-4-7-13-19)26(30)25(29)23-21-16-10-11-17-22(21)27(2)24(23)20-14-8-5-9-15-20/h4-17H,3,18H2,1-2H3
Affinity DataKi:  2.92nMAssay Description:Displacement of [11C]PK11195 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
TargetThyroid hormone receptor beta(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50242403((3,5-dimethyl-4-(4-hydroxy-3-isopropylbenzyl)pheno...)
Show SMILES CC(C)c1cc(Cc2c(C)cc(OCP(O)(O)=O)cc2C)ccc1O
Show InChI InChI=1S/C19H25O5P/c1-12(2)17-9-15(5-6-19(17)20)10-18-13(3)7-16(8-14(18)4)24-11-25(21,22)23/h5-9,12,20H,10-11H2,1-4H3,(H2,21,22,23)
Affinity DataKi:  2.95nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetThyroid hormone receptor alpha(Homo sapiens (Human))
Metabasis Therapeutics Inc

Curated by ChEMBL
LigandPNGBDBM50274812(CHEMBL457528 | [3,5-Diiodo-4-(4'-hydroxy-3'-isopro...)
Show SMILES CC(C)c1cc(Oc2c(I)cc(OCP(O)(O)=O)cc2I)ccc1O
Show InChI InChI=1S/C16H17I2O6P/c1-9(2)12-5-10(3-4-15(12)19)24-16-13(17)6-11(7-14(16)18)23-8-25(20,21)22/h3-7,9,19H,8H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  3.74nMAssay Description:Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assayMore data for this Ligand-Target Pair
TargetTranslocator protein(Rattus norvegicus (rat))
National Institute of Mental Health

Curated by ChEMBL
LigandPNGBDBM50143244(2-[2-(4-Fluoro-phenyl)-1H-indol-3-yl]-2-oxo-N,N-di...)
Show SMILES CCCN(CCC)C(=O)C(=O)c1c([nH]c2ccccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O2/c1-3-13-25(14-4-2)22(27)21(26)19-17-7-5-6-8-18(17)24-20(19)15-9-11-16(23)12-10-15/h5-12,24H,3-4,13-14H2,1-2H3
Affinity DataKi:  4.28nMAssay Description:Displacement of [11C]PBR28 from TSPO in rat kidney mitochondrial membraneMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 407 total ) | Next | Last >>
Jump to: