Compile Data Set for Download or QSAR
Found 9 Enz. Inhib. hit(s) with all data for entry = 50048770
LigandPNGBDBM50227255(CHEMBL102907)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-7-6-8-15(9-14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+
Affinity DataIC50: 0.00810nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227261(CHEMBL317044)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)C#N
Show InChI InChI=1S/C21H24N2O4/c1-12(2)11-27-21(25)18-14(4)23-13(3)17(20(24)26-5)19(18)16-8-6-7-15(9-16)10-22/h6-9,12,19,24H,11H2,1-5H3/b20-17+
Affinity DataIC50: 0.0130nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227259(CHEMBL441428)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,23H,10H2,1-5H3/b19-16+
Affinity DataIC50: 0.0150nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227256(CHEMBL103806)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H24F3NO4/c1-11(2)10-29-20(27)17-13(4)25-12(3)16(19(26)28-5)18(17)14-8-6-7-9-15(14)21(22,23)24/h6-9,11,18,26H,10H2,1-5H3/b19-16+
Affinity DataIC50: 0.0270nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227257(CHEMBL321999)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H24F3NO4/c1-11(2)10-29-20(27)17-13(4)25-12(3)16(19(26)28-5)18(17)14-7-6-8-15(9-14)21(22,23)24/h6-9,11,18,26H,10H2,1-5H3/b19-16+
Affinity DataIC50: 0.140nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227262(CHEMBL105444)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccccc1
Show InChI InChI=1S/C20H25NO4/c1-12(2)11-25-20(23)17-14(4)21-13(3)16(19(22)24-5)18(17)15-9-7-6-8-10-15/h6-10,12,18,22H,11H2,1-5H3/b19-16+
Affinity DataIC50: 0.25nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227260(CHEMBL319033)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccc(F)cc1
Show InChI InChI=1S/C20H24FNO4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-6-8-15(21)9-7-14/h6-9,11,18,23H,10H2,1-5H3/b19-16+
Affinity DataIC50: 1.5nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227258(CHEMBL102498)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1cccc(OC)c1
Show InChI InChI=1S/C21H27NO5/c1-12(2)11-27-21(24)18-14(4)22-13(3)17(20(23)26-6)19(18)15-8-7-9-16(10-15)25-5/h7-10,12,19,23H,11H2,1-6H3/b20-17+
Affinity DataIC50: 2.30nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair
LigandPNGBDBM50227254(CHEMBL318521)
Show SMILES CO\C(O)=C1\C(C(C(=O)OCC(C)C)=C(C)N=C1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-11(2)10-26-20(24)17-13(4)22-12(3)16(19(23)25-5)18(17)14-6-8-15(21)9-7-14/h6-9,11,18,23H,10H2,1-5H3/b19-16+
Affinity DataIC50: 2.80nMAssay Description:Inhibition of [3H]nitrendipine binding to guinea pig ileal longitudinal smooth muscleMore data for this Ligand-Target Pair