Compile Data Set for Download or QSAR
Found 71 Enz. Inhib. hit(s) with all data for entry = 50002028
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452379(CHEMBL4210455)
Show SMILES Clc1ccc2NC(=S)[C@H](CC3CC3)N=C(c3ccccc3)c2c1
Show InChI InChI=1S/C19H17ClN2S/c20-14-8-9-16-15(11-14)18(13-4-2-1-3-5-13)21-17(19(23)22-16)10-12-6-7-12/h1-5,8-9,11-12,17H,6-7,10H2,(H,22,23)/t17-/m0/s1
Affinity DataEC50:  251nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452380(CHEMBL4216528)
Show SMILES CC(C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m1/s1
Affinity DataEC50:  521nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452381(CHEMBL4211618)
Show SMILES CC(C)[C@@H]1N=C(c2cccnc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H16ClN3S/c1-10(2)15-17(22)20-14-6-5-12(18)8-13(14)16(21-15)11-4-3-7-19-9-11/h3-10,15H,1-2H3,(H,20,22)/t15-/m0/s1
Affinity DataEC50:  275nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452382(CHEMBL4218212)
Show SMILES CCC1N=C(c2ccccc2)c2cc(N)ccc2NC1=S
Show InChI InChI=1S/C17H17N3S/c1-2-14-17(21)20-15-9-8-12(18)10-13(15)16(19-14)11-6-4-3-5-7-11/h3-10,14H,2,18H2,1H3,(H,20,21)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-2/beta-3/gamma-2(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from human GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452384(Sulazepam | W-3676)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=S)c1ccccc1
Show InChI InChI=1S/C16H13ClN2S/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452385(CHEMBL4215509)
Show SMILES S=C1CN=C(c2ccccc2)c2ccccc2N1
Show InChI InChI=1S/C15H12N2S/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452386(CHEMBL4206346)
Show SMILES Fc1ccccc1C1=NCC(=S)Nc2ccccc12
Show InChI InChI=1S/C15H11FN2S/c16-12-7-3-1-5-10(12)15-11-6-2-4-8-13(11)18-14(19)9-17-15/h1-8H,9H2,(H,18,19)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452387(CHEMBL4206863)
Show SMILES Brc1ccc2NC(=S)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11BrN2S/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
Affinity DataEC50:  962nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452388(CHEMBL4202501)
Show SMILES CSc1ccc2NC(=S)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C16H14N2S2/c1-20-12-7-8-14-13(9-12)16(17-10-15(19)18-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,19)
Affinity DataEC50:  870nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452389(CHEMBL4211633)
Show SMILES [O-][N+](=O)c1ccc2NC(=S)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C15H11N3O2S/c19-18(20)11-6-7-13-12(8-11)15(16-9-14(21)17-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,21)
Affinity DataEC50:  4.48E+3nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452390(CHEMBL4214867)
Show SMILES CCC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-2-6-16-18(22)21-15-10-9-13(19)11-14(15)17(20-16)12-7-4-3-5-8-12/h3-5,7-11,16H,2,6H2,1H3,(H,21,22)/t16-/m0/s1
Affinity DataEC50:  238nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452391(CHEMBL4215404)
Show SMILES FC(F)(F)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H12ClF3N2S/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)22-14(16(24)23-13)9-17(19,20)21/h1-8,14H,9H2,(H,23,24)/t14-/m0/s1
Affinity DataEC50:  311nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452392(CHEMBL4206609)
Show SMILES Fc1ccccc1C1=N[C@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H14ClFN2S/c22-14-10-11-18-16(12-14)20(15-8-4-5-9-17(15)23)25-19(21(26)24-18)13-6-2-1-3-7-13/h1-12,19H,(H,24,26)/t19-/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50:  70nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452393(CHEMBL4212760)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H16ClFN2S/c1-10(2)16-18(23)21-15-8-7-11(19)9-13(15)17(22-16)12-5-3-4-6-14(12)20/h3-10,16H,1-2H3,(H,21,23)/t16-/m0/s1
Affinity DataEC50:  80nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452394(CHEMBL4211802)
Show SMILES CC(C)(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2OS/c1-18(2,22)16-17(23)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16,22H,1-2H3,(H,20,23)
Affinity DataEC50:  1.85E+3nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452395(CHEMBL4217647)
Show SMILES CCOC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H15ClN2O2S/c1-2-23-18(22)16-17(24)20-14-9-8-12(19)10-13(14)15(21-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,20,24)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452396(CHEMBL4211355)
Show SMILES CCOC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H15ClN2OS/c1-2-21-16-17(22)19-14-9-8-12(18)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,16H,2H2,1H3,(H,19,22)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452397(CHEMBL4214582)
Show SMILES Clc1ccc2NC(=S)C(N=C(c3ccccc3)c2c1)n1ccnc1
Show InChI InChI=1S/C18H13ClN4S/c19-13-6-7-15-14(10-13)16(12-4-2-1-3-5-12)22-17(18(24)21-15)23-9-8-20-11-23/h1-11,17H,(H,21,24)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452398(CHEMBL4204428)
Show SMILES CCC[C@@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C19H19ClN2S/c1-3-11-19(2)18(23)21-16-10-9-14(20)12-15(16)17(22-19)13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H,21,23)/t19-/m1/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452399(CHEMBL4208761)
Show SMILES CC(=O)OC1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H13ClFNO2S/c1-10(22)23-17-9-13(12-4-2-3-5-15(12)20)14-8-11(19)6-7-16(14)21-18(17)24/h2-9,17H,1H3,(H,21,24)
Affinity DataEC50:  649nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452400(CHEMBL4213699)
Show SMILES CC(C)C1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-]
Show InChI InChI=1S/C18H17ClN2OS/c1-11(2)16-18(23)20-15-9-8-13(19)10-14(15)17(21(16)22)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,23)
Affinity DataEC50:  349nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452401(CHEMBL4216618)
Show SMILES Clc1ccc2NC(=S)COC(c3ccccc3)c2c1
Show InChI InChI=1S/C15H12ClNOS/c16-11-6-7-13-12(8-11)15(18-9-14(19)17-13)10-4-2-1-3-5-10/h1-8,15H,9H2,(H,17,19)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452402(CHEMBL4204936)
Show SMILES Clc1ccc2NC(=S)CC(=Nc2c1)c1ccccc1
Show InChI InChI=1S/C15H11ClN2S/c16-11-6-7-12-14(8-11)17-13(9-15(19)18-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452403(CHEMBL4205325)
Show SMILES Clc1ccc2NC(=S)Cc3ccccc3-c2c1
Show InChI InChI=1S/C14H10ClNS/c15-10-5-6-13-12(8-10)11-4-2-1-3-9(11)7-14(17)16-13/h1-6,8H,7H2,(H,16,17)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452404(CHEMBL4216319)
Show SMILES CC(C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H16ClN3S/c1-10(2)15-17(22)20-13-7-6-11(18)9-12(13)16(21-15)14-5-3-4-8-19-14/h3-10,15H,1-2H3,(H,20,22)/t15-/m0/s1
Affinity DataEC50:  289nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452405(CHEMBL4213762)
Show SMILES CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H23ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h8-12,16H,3-7H2,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50:  414nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452406(CHEMBL4214488)
Show SMILES CC(C)[C@@H]1N=C(c2ccc(cc2)C(F)(F)F)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C19H16ClF3N2S/c1-10(2)16-18(26)24-15-8-7-13(20)9-14(15)17(25-16)11-3-5-12(6-4-11)19(21,22)23/h3-10,16H,1-2H3,(H,24,26)/t16-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452407(CHEMBL4218876)
Show SMILES CC(C)C[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C19H18Cl2N2S/c1-11(2)9-17-19(24)23-16-8-7-12(20)10-14(16)18(22-17)13-5-3-4-6-15(13)21/h3-8,10-11,17H,9H2,1-2H3,(H,23,24)/t17-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452408(CHEMBL4204668)
Show SMILES CC(C)C1N=C(c2ccccc2)c2cc(C)ccc2NC1=S
Show InChI InChI=1S/C19H20N2S/c1-12(2)17-19(22)20-16-10-9-13(3)11-15(16)18(21-17)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,20,22)
Affinity DataEC50:  62nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452409(CHEMBL4207635)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(OC(F)(F)F)ccc2NC1=S
Show InChI InChI=1S/C19H17F3N2OS/c1-11(2)16-18(26)23-15-9-8-13(25-19(20,21)22)10-14(15)17(24-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,23,26)/t16-/m0/s1
Affinity DataEC50:  232nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452410(CHEMBL4210331)
Show SMILES CC1N=C(c2ccccc2)c2ccccc2NC1=S
Show InChI InChI=1S/C16H14N2S/c1-11-16(19)18-14-10-6-5-9-13(14)15(17-11)12-7-3-2-4-8-12/h2-11H,1H3,(H,18,19)
Affinity DataEC50:  552nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452411(CHEMBL4217684)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(ccc2NC1=S)-c1ccccc1
Show InChI InChI=1S/C24H22N2S/c1-16(2)22-24(27)25-21-14-13-19(17-9-5-3-6-10-17)15-20(21)23(26-22)18-11-7-4-8-12-18/h3-16,22H,1-2H3,(H,25,27)/t22-/m0/s1
Affinity DataEC50:  1.47E+3nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452412(CHEMBL4208883)
Show SMILES CC1N=C(c2ccccc2)c2cc(ccc2NC1=S)C(C)=O
Show InChI InChI=1S/C18H16N2OS/c1-11-18(22)20-16-9-8-14(12(2)21)10-15(16)17(19-11)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,22)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452413(CHEMBL4213813)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=S
Show InChI InChI=1S/C19H19ClN2S/c1-12(2)17-19(23)22(3)16-10-9-14(20)11-15(16)18(21-17)13-7-5-4-6-8-13/h4-12,17H,1-3H3/t17-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(RAT)
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452393(CHEMBL4212760)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H16ClFN2S/c1-10(2)16-18(23)21-15-8-7-11(19)9-13(15)17(22-16)12-5-3-4-6-14(12)20/h3-10,16H,1-2H3,(H,21,23)/t16-/m0/s1
Affinity DataEC50:  218nMAssay Description:Positive allosteric modulation of rat M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from human GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2(Rattus norvegicus (Rat))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A receptor alpha2beta3gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2(Rattus norvegicus (Rat))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A receptor alpha3beta3gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2(Rattus norvegicus (Rat))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from rat GABA-A receptor alpha5beta3gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452414(CHEMBL4206098)
Show SMILES Fc1ccccc1C1=N[C@@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C21H14ClFN2S/c22-14-10-11-18-16(12-14)20(15-8-4-5-9-17(15)23)25-19(21(26)24-18)13-6-2-1-3-7-13/h1-12,19H,(H,24,26)/t19-/m0/s1
Affinity DataEC50:  1.47E+3nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452415(CHEMBL4204098)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-10-13(19)8-9-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50:  399nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452416(CHEMBL4214189)
Show SMILES Fc1ccccc1C1=NCC(=S)Nc2ccc(I)cc12
Show InChI InChI=1S/C15H10FIN2S/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8H2,(H,19,20)
Affinity DataEC50:  2.15E+3nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452417(CHEMBL4203058)
Show SMILES CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C7H7NO5S3/c8-16(12,13)6-3-4-5(9)1-2-15(10,11)7(4)14-6/h3H,1-2H2,(H2,8,12,13)
Affinity DataEC50:  420nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452419(CHEMBL4202915)
Show SMILES CCC[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C27H31NO3.ClH/c1-30-26-17-21-15-24(25(29)16-22(21)18-27(26)31-2)28-14-13-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,17-18,23-25,28-29H,13-16H2,1-2H3;1H/t24-,25-;/m0./s1
Affinity DataEC50:  104nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGABA-A receptor; alpha-5/beta-3/gamma-2(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452383(CHEMBL4218339)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1
Affinity DataEC50: >2.40E+4nMAssay Description:Displacement of [3H]-flumazenil from human GABA-A receptor alpha5beta3gamma2 expressed in HEK293 cells by electrophysiology assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452420(CHEMBL4212168)
Show SMILES CCC1CN(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H17ClN2S/c1-2-12-11-20(14-6-4-3-5-7-14)16-10-13(18)8-9-15(16)19-17(12)21/h3-10,12H,2,11H2,1H3,(H,19,21)
Affinity DataEC50:  50nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452421(CHEMBL4212268)
Show SMILES CC(C)[C@@H]1N=C(c2cccc(Cl)c2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H16Cl2N2S/c1-10(2)16-18(23)21-15-7-6-13(20)9-14(15)17(22-16)11-4-3-5-12(19)8-11/h3-10,16H,1-2H3,(H,21,23)/t16-/m0/s1
Affinity DataEC50:  172nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452422(CHEMBL4210464)
Show SMILES CCCC1=N[C@@H](C(C)C)C(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H19ClN2S/c1-4-5-12-11-8-10(16)6-7-13(11)18-15(19)14(17-12)9(2)3/h6-9,14H,4-5H2,1-3H3,(H,18,19)/t14-/m0/s1
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of human wild type M1 receptor assessed as increase in acetylcholine-induced calcium flux by FLIPR assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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