Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50008388
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518710(CHEMBL4522777)
Show SMILES Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C15H17ClN4S/c1-7-10-12-13(21-15(10)18-8(2)11(7)16)14(19-20(12)3)17-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,17,19)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Show SMILES Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13-14(23-16(11)19-9(2)12(8)17)15(20-21(13)3)18-7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,18,20)
Affinity DataIC50: 100nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518710(CHEMBL4522777)
Show SMILES Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C15H17ClN4S/c1-7-10-12-13(21-15(10)18-8(2)11(7)16)14(19-20(12)3)17-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,17,19)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Show SMILES Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13-14(23-16(11)19-9(2)12(8)17)15(20-21(13)3)18-7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,18,20)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518706(CHEMBL4547995)
Show SMILES COc1ccc(CNC(=O)c2cc3c(C)cc(C)nc3s2)cc1
Show InChI InChI=1S/C18H18N2O2S/c1-11-8-12(2)20-18-15(11)9-16(23-18)17(21)19-10-13-4-6-14(22-3)7-5-13/h4-9H,10H2,1-3H3,(H,19,21)
Affinity DataEC50:  5.10E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518707(CHEMBL4458844)
Show SMILES Cc1nnc2sc3c(NCc4ccc5OCCOc5c4)nn(C)c3c2c1C
Show InChI InChI=1S/C19H19N5O2S/c1-10-11(2)21-22-19-15(10)16-17(27-19)18(23-24(16)3)20-9-12-4-5-13-14(8-12)26-7-6-25-13/h4-5,8H,6-7,9H2,1-3H3,(H,20,23)
Affinity DataEC50:  60nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518708(CHEMBL4583475)
Show SMILES Cc1nnc2sc3c(NCc4ccco4)nn(C)c3c2c1C
Show InChI InChI=1S/C15H15N5OS/c1-8-9(2)17-18-15-11(8)12-13(22-15)14(19-20(12)3)16-7-10-5-4-6-21-10/h4-6H,7H2,1-3H3,(H,16,19)
Affinity DataEC50:  690nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518709(CHEMBL4451787)
Show SMILES Cc1nnc2sc3c(NCC4CCCO4)nn(C)c3c2c1C
Show InChI InChI=1S/C15H19N5OS/c1-8-9(2)17-18-15-11(8)12-13(22-15)14(19-20(12)3)16-7-10-5-4-6-21-10/h10H,4-7H2,1-3H3,(H,16,19)
Affinity DataEC50:  180nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518702(CHEMBL4576513)
Show SMILES Cc1nc2sc3c(NCc4ccco4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13-14(23-16(11)19-9(2)12(8)17)15(20-21(13)3)18-7-10-5-4-6-22-10/h4-6H,7H2,1-3H3,(H,18,20)
Affinity DataEC50:  120nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518710(CHEMBL4522777)
Show SMILES Cc1nc2sc3c(NCC4CC4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C15H17ClN4S/c1-7-10-12-13(21-15(10)18-8(2)11(7)16)14(19-20(12)3)17-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,17,19)
Affinity DataEC50:  230nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518711(CHEMBL4443221)
Show SMILES COc1ccc(CNc2nn(C)c3c2sc2nc(C)c(Cl)c(C)c32)cc1
Show InChI InChI=1S/C19H19ClN4OS/c1-10-14-16-17(26-19(14)22-11(2)15(10)20)18(23-24(16)3)21-9-12-5-7-13(25-4)8-6-12/h5-8H,9H2,1-4H3,(H,21,23)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518712(CHEMBL4451608)
Show SMILES Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)n[nH]c21
Show InChI InChI=1S/C15H14N4OS/c1-8-6-9(2)17-15-11(8)12-13(21-15)14(19-18-12)16-7-10-4-3-5-20-10/h3-6H,7H2,1-2H3,(H2,16,18,19)
Affinity DataEC50:  1.20E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518713(CHEMBL4559841)
Show SMILES Cc1cc(C)c2c(n1)sc1c(NCC3CC3)n[nH]c21
Show InChI InChI=1S/C14H16N4S/c1-7-5-8(2)16-14-10(7)11-12(19-14)13(18-17-11)15-6-9-3-4-9/h5,9H,3-4,6H2,1-2H3,(H2,15,17,18)
Affinity DataEC50:  2.00E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518714(CHEMBL4558571)
Show SMILES Cc1cc(C)c2c(n1)sc1c(NCc3ccccc3)n[nH]c21
Show InChI InChI=1S/C17H16N4S/c1-10-8-11(2)19-17-13(10)14-15(22-17)16(21-20-14)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H2,18,20,21)
Affinity DataEC50:  1.00E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518715(CHEMBL4458842)
Show SMILES COc1ccc(CNc2n[nH]c3c2sc2nc(C)cc(C)c32)cc1
Show InChI InChI=1S/C18H18N4OS/c1-10-8-11(2)20-18-14(10)15-16(24-18)17(22-21-15)19-9-12-4-6-13(23-3)7-5-12/h4-8H,9H2,1-3H3,(H2,19,21,22)
Affinity DataEC50:  2.20E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518716(CHEMBL4453085)
Show SMILES COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C)cc1F
Show InChI InChI=1S/C18H18FN3O2S/c1-9-11(3)21-22-18-15(9)10(2)16(25-18)17(23)20-8-12-5-6-14(24-4)13(19)7-12/h5-7H,8H2,1-4H3,(H,20,23)
Affinity DataEC50:  2.10E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50451549(CHEMBL4207737)
Show SMILES COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1F
Show InChI InChI=1S/C17H17FN4O2S/c1-8-9(2)21-22-17-13(8)14(19)15(25-17)16(23)20-7-10-4-5-12(24-3)11(18)6-10/h4-6H,7,19H2,1-3H3,(H,20,23)
Affinity DataEC50:  80nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518717(CHEMBL4552714)
Show SMILES CCc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H22N2O3S2/c1-5-16-17-12(2)10-13(3)22-20(17)26-18(16)19(23)21-11-14-6-8-15(9-7-14)27(4,24)25/h6-10H,5,11H2,1-4H3,(H,21,23)
Affinity DataEC50:  2.70E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518718(CHEMBL4448985)
Show SMILES CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
Show InChI InChI=1S/C19H20N2OS2/c1-11-9-12(2)21-19-16(11)13(3)17(24-19)18(22)20-10-14-5-7-15(23-4)8-6-14/h5-9H,10H2,1-4H3,(H,20,22)
Affinity DataEC50:  1.50E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518719(CHEMBL4467950)
Show SMILES Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20N2O3S/c1-11-8-12(2)22-20-17(11)13(3)18(26-20)19(23)21-10-14-4-5-15-16(9-14)25-7-6-24-15/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,23)
Affinity DataEC50:  2.10E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518720(CHEMBL4446337)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1
Show InChI InChI=1S/C19H20N2O2S/c1-11-9-12(2)21-19-16(11)13(3)17(24-19)18(22)20-10-14-5-7-15(23-4)8-6-14/h5-9H,10H2,1-4H3,(H,20,22)
Affinity DataEC50:  2.70E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518721(CHEMBL4558665)
Show SMILES Cc1nnc2sc3c(NCc4ccc(c(F)c4)S(C)(=O)=O)nn(C)c3c2c1C
Show InChI InChI=1S/C18H18FN5O2S2/c1-9-10(2)21-22-18-14(9)15-16(27-18)17(23-24(15)3)20-8-11-5-6-13(12(19)7-11)28(4,25)26/h5-7H,8H2,1-4H3,(H,20,23)
Affinity DataEC50:  160nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518722(CHEMBL4517529)
Show SMILES CCc1c(sc2nnc(C)c(C)c12)C(=O)NCc1ccc(OC)c(F)c1
Show InChI InChI=1S/C19H20FN3O2S/c1-5-13-16-10(2)11(3)22-23-19(16)26-17(13)18(24)21-9-12-6-7-15(25-4)14(20)8-12/h6-8H,5,9H2,1-4H3,(H,21,24)
Affinity DataEC50:  2.20E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518723(CHEMBL4563934)
Show SMILES Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc2OCCc2c1
Show InChI InChI=1S/C20H20N2O2S/c1-11-8-12(2)22-20-17(11)13(3)18(25-20)19(23)21-10-14-4-5-16-15(9-14)6-7-24-16/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,23)
Affinity DataEC50:  5.90E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518724(CHEMBL4592523)
Show SMILES Cc1nnc2sc3c(NCC4CC4)nn(C)c3c2c1C
Show InChI InChI=1S/C14H17N5S/c1-7-8(2)16-17-14-10(7)11-12(20-14)13(18-19(11)3)15-6-9-4-5-9/h9H,4-6H2,1-3H3,(H,15,18)
Affinity DataEC50:  620nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518725(CHEMBL4466551)
Show SMILES COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F
Show InChI InChI=1S/C20H20FN3O2S/c1-10-11(2)23-24-20-16(10)17(13-5-6-13)18(27-20)19(25)22-9-12-4-7-15(26-3)14(21)8-12/h4,7-8,13H,5-6,9H2,1-3H3,(H,22,25)
Affinity DataEC50:  5.60E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518726(CHEMBL4474325)
Show SMILES COc1ccc(CNc2nn(C)c3c2sc2nnc(C)c(C)c32)cc1
Show InChI InChI=1S/C18H19N5OS/c1-10-11(2)20-21-18-14(10)15-16(25-18)17(22-23(15)3)19-9-12-5-7-13(24-4)8-6-12/h5-8H,9H2,1-4H3,(H,19,22)
Affinity DataEC50:  40nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518727(CHEMBL4441438)
Show SMILES Cc1nc2sc3c(NCc4ccccc4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C18H17ClN4S/c1-10-13-15-16(24-18(13)21-11(2)14(10)19)17(22-23(15)3)20-9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,20,22)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518728(CHEMBL4455343)
Show SMILES Cc1cc(C)c2c(n1)sc1c(NCc3ccc(F)cc3)n[nH]c21
Show InChI InChI=1S/C17H15FN4S/c1-9-7-10(2)20-17-13(9)14-15(23-17)16(22-21-14)19-8-11-3-5-12(18)6-4-11/h3-7H,8H2,1-2H3,(H2,19,21,22)
Affinity DataEC50:  1.10E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518729(CHEMBL4552552)
Show SMILES COc1ccc(CNC(=O)c2cc3c(C)c(C)nnc3s2)cc1F
Show InChI InChI=1S/C17H16FN3O2S/c1-9-10(2)20-21-17-12(9)7-15(24-17)16(22)19-8-11-4-5-14(23-3)13(18)6-11/h4-7H,8H2,1-3H3,(H,19,22)
Affinity DataEC50:  1.50E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518730(CHEMBL4526215)
Show SMILES Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H20N2O3S2/c1-11-9-12(2)21-19-16(11)13(3)17(25-19)18(22)20-10-14-5-7-15(8-6-14)26(4,23)24/h5-9H,10H2,1-4H3,(H,20,22)
Affinity DataEC50:  6.40E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM48043(3-amino-4,6-dimethyl-N-p-anisyl-thieno[2,3-b]pyrid...)
Show SMILES COc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2N)cc1
Show InChI InChI=1S/C18H19N3O2S/c1-10-8-11(2)21-18-14(10)15(19)16(24-18)17(22)20-9-12-4-6-13(23-3)7-5-12/h4-8H,9,19H2,1-3H3,(H,20,22)
Affinity DataEC50:  680nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518705(CHEMBL4536563)
Show SMILES Cc1c(sc2nc(C)cc(C)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H17F3N2O2S/c1-10-8-11(2)24-18-15(10)12(3)16(27-18)17(25)23-9-13-4-6-14(7-5-13)26-19(20,21)22/h4-8H,9H2,1-3H3,(H,23,25)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518704(CHEMBL4556846)
Show SMILES Cc1nnc2sc(C(=O)NC3COC3)c(C3CC3)c2c1C
Show InChI InChI=1S/C15H17N3O2S/c1-7-8(2)17-18-15-11(7)12(9-3-4-9)13(21-15)14(19)16-10-5-20-6-10/h9-10H,3-6H2,1-2H3,(H,16,19)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518731(CHEMBL4531650)
Show SMILES Cc1cc(C)c2c(n1)sc1c(NCC3CCCC3)n[nH]c21
Show InChI InChI=1S/C16H20N4S/c1-9-7-10(2)18-16-12(9)13-14(21-16)15(20-19-13)17-8-11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3,(H2,17,19,20)
Affinity DataEC50:  3.80E+3nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M4(Homo sapiens (Human))
Vanderbilt University

Curated by ChEMBL
LigandPNGBDBM50518703(CHEMBL4524698)
Show SMILES Cc1nc2sc3c(NCc4ccc(F)cc4)nn(C)c3c2c(C)c1Cl
Show InChI InChI=1S/C18H16ClFN4S/c1-9-13-15-16(25-18(13)22-10(2)14(9)19)17(23-24(15)3)21-8-11-4-6-12(20)7-5-11/h4-7H,8H2,1-3H3,(H,21,23)
Affinity DataEC50: >1.00E+4nMAssay Description:Positive allosteric modulation of Gqi5-fused human M4 AChR assessed as increase in acetylcholine-induced calcium mobilizationMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid