Compile Data Set for Download or QSAR

PubMed code 29146472

Found 71 hits of Enzyme Inhibition Constant Data   

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
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
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
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
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
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
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(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
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452423(CHEMBL4212541)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(ccc2NC1=S)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2S/c1-11(2)16-18(25)23-15-9-8-13(19(20,21)22)10-14(15)17(24-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,23,25)/t16-/m0/s1
Affinity DataEC50:  71nMAssay 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
LigandPNGBDBM50452424(CHEMBL4205971)
Show SMILES COc1ccc2NC(=S)[C@@H](N=C(c3ccccc3)c2c1)C(C)C
Show InChI InChI=1S/C19H20N2OS/c1-12(2)17-19(23)20-16-10-9-14(22-3)11-15(16)18(21-17)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,20,23)/t17-/m0/s1
Affinity DataEC50:  559nMAssay 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
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
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
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
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
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
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
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
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
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
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Roche Pharma Research and Early Development

Curated by ChEMBL
LigandPNGBDBM50452437(CHEMBL4206066)
Show SMILES CC(C)C1C(=S)Nc2ccc(Cl)cc2N(c2ccccc2)C1=O
Show InChI InChI=1S/C18H17ClN2OS/c1-11(2)16-17(23)20-14-9-8-12(19)10-15(14)21(18(16)22)13-6-4-3-5-7-13/h3-11,16H,1-2H3,(H,20,23)
Affinity DataEC50:  267nMAssay 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:  178nMAssay Description:Positive allosteric modulation of M1 receptor Y179A/W400A mutant (unknown origin)More 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
LigandPNGBDBM50452444(CHEMBL4207900)
Show SMILES COC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H17ClN2OS/c1-11(22-2)16-18(23)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,20,23)
Affinity DataEC50:  354nMAssay 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
LigandPNGBDBM50452447(CHEMBL4218606)
Show SMILES FC(F)(F)c1ccc2NC(=S)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C16H11F3N2S/c17-16(18,19)11-6-7-13-12(8-11)15(20-9-14(22)21-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)
Affinity DataEC50:  516nMAssay 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
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
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
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
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
LigandPNGBDBM50452425(CHEMBL4204548)
Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
Show InChI InChI=1S/C18H17ClN2O/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:  777nMAssay 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 M5(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:  1.30E+3nMAssay Description:Positive allosteric modulation of M5 receptor (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetGamma-aminobutyric acid receptor subunit alpha-1/beta-2/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 alpha1beta2gamma2 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
LigandPNGBDBM50452442(CHEMBL4203218)
Show SMILES CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C17H15ClN2S/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,2H2,1H3,(H,20,21)/t14-/m0/s1
Affinity DataEC50:  187nMAssay 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
LigandPNGBDBM50452445(CHEMBL4206991)
Show SMILES CC(C)=C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S
Show InChI InChI=1S/C18H15ClN2S/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/h3-10H,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
LigandPNGBDBM50452446(CHEMBL4209299)
Show SMILES Fc1ccccc1C1=CCC(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C16H11ClFNS/c17-10-5-7-15-13(9-10)11(6-8-16(20)19-15)12-3-1-2-4-14(12)18/h1-7,9H,8H2,(H,19,20)
Affinity DataEC50:  317nMAssay 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
LigandPNGBDBM50452448(CHEMBL4218941)
Show SMILES Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C15H10ClFN2S/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
Affinity DataEC50:  317nMAssay 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
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
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
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
LigandPNGBDBM50452428(CHEMBL4211028)
Show SMILES Fc1ccccc1C1=N[C@@H](C2CC2)C(=S)Nc2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClFN2S/c19-11-7-8-15-13(9-11)17(12-3-1-2-4-14(12)20)22-16(10-5-6-10)18(23)21-15/h1-4,7-10,16H,5-6H2,(H,21,23)/t16-/m0/s1
Affinity DataEC50:  165nMAssay 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
LigandPNGBDBM50452441(CHEMBL4211235)
Show SMILES Cc1ccc2NC(=S)CN=C(c3ccccc3)c2c1
Show InChI InChI=1S/C16H14N2S/c1-11-7-8-14-13(9-11)16(17-10-15(19)18-14)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19)
Affinity DataEC50:  3.68E+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
TargetGamma-aminobutyric acid receptor subunit 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
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
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
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
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
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
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
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
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