Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50093799'
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  7.70nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  17nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  17nMAssay Description:Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..More data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKi:  31nMAssay Description:Binding affinity towards Acetylcholinesterase from fetal bovine serumMore data for this Ligand-Target Pair
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKon:  0.000217M-1s-1Assay Description:Kinetic constant for inhibition of fetal bovine serum acetylcholinesteraseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAcetylcholinesterase(Bos taurus (bovine))
Georgetown University Medical Center

Curated by ChEMBL
LigandPNGBDBM50093799((R)-1-Amino-13-eth-(E)-ylidene-8,8,11-trimethyl-6-...)
Show SMILES C\C=C1/C2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2(C)C
Show InChI InChI=1S/C17H22N2O/c1-5-11-13-8-10(2)9-17(11,18)12-6-7-14(20)19-15(12)16(13,3)4/h5-8,13H,9,18H2,1-4H3,(H,19,20)/b11-5+/t13?,17-/m1/s1
Affinity DataKoff:  0.0130s-1Assay Description:Dissociation constant for the inhibition of fetal bovine serum acetylcholinesterase was determined..More data for this Ligand-Target Pair
In DepthDetails Article