Compile Data Set for Download or QSAR
Found 915 with Last Name = 'takeuchi' and Initial = 'm'
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083552(1,9-di{4-[5-amino(imino)methylbenzo[b]furan-2-ylca...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C37H44N8O6/c38-34(39)24-8-10-28-26(20-24)22-30(50-28)36(48)44-16-12-42(13-17-44)32(46)6-4-2-1-3-5-7-33(47)43-14-18-45(19-15-43)37(49)31-23-27-21-25(35(40)41)9-11-29(27)51-31/h8-11,20-23H,1-7,12-19H2,(H3,38,39)(H3,40,41)
Affinity DataKi:  0.0190nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021919(CHEMBL3298595)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1
Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H
Affinity DataKi:  0.0200nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021919(CHEMBL3298595)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1
Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H
Affinity DataKi:  0.0200nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021919(CHEMBL3298595)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1
Show InChI InChI=1S/C19H22N2O2S.HI/c1-21-11-8-19(9-12-21,10-13-21)23-18(22)20-16-7-14-24-17(16)15-5-3-2-4-6-15;/h2-7,14H,8-13H2,1H3;1H
Affinity DataKi:  0.0270nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083561(1-{4-[5-amino(imino)methylbenzo[b]thiophen-2-ylcar...)
Show SMILES NC(=N)c1ccc2sc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3s2)C(N)=N)cc1
Show InChI InChI=1S/C38H38N8O6S2/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)
Affinity DataKi:  0.0280nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083556(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CO[C@H]1CCC[C@H](CCC1)OCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C40H48N8O8/c41-37(42)25-7-9-31-27(19-25)21-33(55-31)39(51)47-15-11-45(12-16-47)35(49)23-53-29-3-1-4-30(6-2-5-29)54-24-36(50)46-13-17-48(18-14-46)40(52)34-22-28-20-26(38(43)44)8-10-32(28)56-34/h7-10,19-22,29-30H,1-6,11-18,23-24H2,(H3,41,42)(H3,43,44)/t29-,30+
Affinity DataKi:  0.0290nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021928(CHEMBL3298599)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H
Affinity DataKi:  0.0410nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083541(1-{4-[5-amino(imino)methyl-4,5,6,7-tetrahydrothien...)
Show SMILES NC(=N)N1CCc2sc(cc2C1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3CN(CCc3s2)C(N)=N)cc1
Show InChI InChI=1S/C36H44N10O6S2/c37-35(38)45-7-5-27-23(19-45)17-29(53-27)33(49)43-13-9-41(10-14-43)31(47)21-51-25-1-2-26(4-3-25)52-22-32(48)42-11-15-44(16-12-42)34(50)30-18-24-20-46(36(39)40)8-6-28(24)54-30/h1-4,17-18H,5-16,19-22H2,(H3,37,38)(H3,39,40)
Affinity DataKi:  0.0460nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021928(CHEMBL3298599)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H
Affinity DataKi:  0.0490nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021928(CHEMBL3298599)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-8-5-18(6-9-22,7-10-22)24-17(23)21-16-15(25-12-20-16)13-3-2-4-14(19)11-13;/h2-4,11-12H,5-10H2,1H3;1H
Affinity DataKi:  0.0530nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021922(CHEMBL3298596)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1
Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H
Affinity DataKi:  0.0550nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021904(CHEMBL3298588)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H
Affinity DataKi:  0.0560nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50083548(1-{4-[5-amino(imino)methylbenzo[b]furan-2-ylcarbon...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(N)=N)cc1
Show InChI InChI=1S/C38H38N8O8/c39-35(40)23-1-7-29-25(17-23)19-31(53-29)37(49)45-13-9-43(10-14-45)33(47)21-51-27-3-5-28(6-4-27)52-22-34(48)44-11-15-46(16-12-44)38(50)32-20-26-18-24(36(41)42)2-8-30(26)54-32/h1-8,17-20H,9-16,21-22H2,(H3,39,40)(H3,41,42)
Affinity DataKi:  0.0570nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021922(CHEMBL3298596)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1
Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H
Affinity DataKi:  0.0640nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021935(CHEMBL3298600)
Show SMILES C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H
Affinity DataKi:  0.0730nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021904(CHEMBL3298588)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H
Affinity DataKi:  0.0950nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021935(CHEMBL3298600)
Show SMILES C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021922(CHEMBL3298596)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1
Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-10-7-18(8-11-21,9-12-21)23-17(22)20-16-15(24-13-19-16)14-5-3-2-4-6-14;/h2-6,13H,7-12H2,1H3;1H
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021938(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetTryptase beta-2/delta/gamma(Homo sapiens (Human))
Yoshitomi Pharmaceutical Industries Ltd

Curated by ChEMBL
LigandPNGBDBM50217306(CHEMBL112049)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)CCCCCCC(=O)N1CCN(CC1)C(=O)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C36H42N8O6/c37-33(38)23-7-9-27-25(19-23)21-29(49-27)35(47)43-15-11-41(12-16-43)31(45)5-3-1-2-4-6-32(46)42-13-17-44(18-14-42)36(48)30-22-26-20-24(34(39)40)8-10-28(26)50-30/h7-10,19-22H,1-6,11-18H2,(H3,37,38)(H3,39,40)
Affinity DataKi:  0.120nMAssay Description:Inhibition of tryptase activityMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021893(CHEMBL3298333)
Show SMILES O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21)
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021938(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
Affinity DataKi:  0.120nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50344285(CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)
Affinity DataKi:  0.140nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
Affinity DataKi:  0.150nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
Affinity DataKi:  0.160nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM144227(US8952008, 4)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3
Affinity DataKi:  0.180nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...More data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021905(CHEMBL3298589)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021905(CHEMBL3298589)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1
Affinity DataKi:  0.190nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021909(CHEMBL3298591)
Show SMILES O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21)
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021901(CHEMBL3298334)
Show SMILES Cl.O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021935(CHEMBL3298600)
Show SMILES C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN3O2S.HI/c1-22-9-6-18(7-10-22,8-11-22)24-17(23)21-16-15(25-12-20-16)13-2-4-14(19)5-3-13;/h2-5,12H,6-11H2,1H3;1H
Affinity DataKi:  0.210nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021926(CHEMBL3298598)
Show SMILES [I-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1
Affinity DataKi:  0.25nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.290nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50296345((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021926(CHEMBL3298598)
Show SMILES [I-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H20ClN3O2S.HI/c1-22-7-5-12(6-8-22)15(10-22)24-18(23)21-17-16(25-11-20-17)13-3-2-4-14(19)9-13;/h2-4,9,11-12,15H,5-8,10H2,1H3;1H/t12?,15-,22?;/m0./s1
Affinity DataKi:  0.310nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50370683(CHEMBL1169543)
Show SMILES O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22+/m0/s1
Affinity DataKi:  0.320nMAssay Description:Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]pirenzepineMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50344285(CHEMBL1779047 | quinuclidin-4-yl biphenyl-2-ylcarb...)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C20H22N2O2/c23-19(24-20-10-13-22(14-11-20)15-12-20)21-18-9-5-4-8-17(18)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,23)
Affinity DataKi:  0.320nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021893(CHEMBL3298333)
Show SMILES O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-16-15(6-13-23-16)14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H,19,21)
Affinity DataKi:  0.330nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021924(CHEMBL3298597)
Show SMILES [I-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1
Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1
Affinity DataKi:  0.370nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M3 receptor in submandibular glandMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021924(CHEMBL3298597)
Show SMILES [I-].C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1
Show InChI InChI=1S/C18H21N3O2S.HI/c1-21-9-7-13(8-10-21)15(11-21)23-18(22)20-17-16(24-12-19-17)14-5-3-2-4-6-14;/h2-6,12-13,15H,7-11H2,1H3;1H/t13?,15-,21?;/m0./s1
Affinity DataKi:  0.370nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021909(CHEMBL3298591)
Show SMILES O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21)
Affinity DataKi:  0.390nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021904(CHEMBL3298588)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-7-10-20(11-8-18)12-9-18)19-15-6-13-23-16(15)14-4-2-1-3-5-14;/h1-6,13H,7-12H2,(H,19,21);1H
Affinity DataKi:  0.460nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021901(CHEMBL3298334)
Show SMILES Cl.O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-17(22-18-6-9-20(10-7-18)11-8-18)19-16-13-23-12-15(16)14-4-2-1-3-5-14;/h1-5,12-13H,6-11H2,(H,19,21);1H
Affinity DataKi:  0.510nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021938(CHEMBL3298763)
Show SMILES [I-].C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O2S.HI/c1-23-5-2-18(3-6-23,4-7-23)25-17(24)22-16-15(26-11-21-16)12-8-13(19)10-14(20)9-12;/h8-11H,2-7H2,1H3;1H
Affinity DataKi:  0.640nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50512947(CHEMBL4545044)
Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1cc2CN(C)C(=O)c2cc1OC
Show InChI InChI=1S/C23H20FN5O2/c1-4-29-12-25-21-18(10-26-27-22(21)29)13-5-6-19(24)16(7-13)17-8-14-11-28(2)23(30)15(14)9-20(17)31-3/h5-10,12H,4,11H2,1-3H3
Affinity DataKi:  0.640nMAssay Description:Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 receptor expressed in HEK293 cell membranes measured after 2 hrs by liquid scintil...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021910(CHEMBL3298592)
Show SMILES Cl.O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C17H19N3O2S.ClH/c21-17(22-14-10-20-8-6-12(14)7-9-20)19-16-15(23-11-18-16)13-4-2-1-3-5-13;/h1-5,11-12,14H,6-10H2,(H,19,21);1H/t14-;/m0./s1
Affinity DataKi:  0.75nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M1 receptor in cortex membraneMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021892(Ipratropium Bromide)
Show SMILES [Br-].CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21?;
Affinity DataKi:  0.780nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021909(CHEMBL3298591)
Show SMILES O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2
Show InChI InChI=1S/C17H19N3O2S/c21-16(22-17-6-9-20(10-7-17)11-8-17)19-15-14(23-12-18-15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,19,21)
Affinity DataKi:  0.800nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(RAT)
Astellas Pharma Inc

Curated by ChEMBL
LigandPNGBDBM50021905(CHEMBL3298589)
Show SMILES Cl.O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m0./s1
Affinity DataKi:  0.820nMAssay Description:Displacement of [3H]-NMS from Sprague-Dawley rat muscarinic M2 receptor in heartMore data for this Ligand-Target Pair
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