Compile Data Set for Download or QSAR
Found 11 Enz. Inhib. hit(s) with all data for entry = 5724
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Affinity DataKd:  458nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKd:  40.7nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM50143314((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Affinity DataKd:  0.0835nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM10759(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
Affinity DataKd:  3.85E+3nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKd:  310nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM92878(Quinuclidine analogue, 5)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18?,21-/m1/s1
Affinity DataKd:  12.8nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM50119572(CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...)
Show SMILES CN(C)CCc1cccnc1
Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
Affinity DataKd:  4.25E+3nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM92875(Quinuclidine analogue, 2)
Show SMILES N[C@@H]1C2CCN(CC2)C1Cc1cccnc1
Show InChI InChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12?,13-/m1/s1
Affinity DataKd:  345nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM92876(Quinuclidine analogue, 3)
Show SMILES O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18?,19-/m1/s1
Affinity DataKd:  141nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM92877(Quinuclidine analogue, 4)
Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)C1Cc1cccnc1
Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18?,19-/m1/s1
Affinity DataKd:  53.5nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair
TargetAcetylcholine-binding protein(Lymnaea stagnalis)
Beactica AB

LigandPNGBDBM50143314((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
Affinity DataKd:  2.67nMpH: 7.4 T: 2°CAssay Description:Interaction assay using AChBP.More data for this Ligand-Target Pair