Compile Data Set for Download or QSAR
Found 47 Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM11682'
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 14nMAssay Description:Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins followed by substrate addition and ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2154MTCPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of BChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27W6FW2PubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 37nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine as substrate preincubated for 30 mins followed by substrate addition and measured after 25 mins ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP85V3PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 58nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41W7XPubMed
TargetCholinesterase(Mus musculus (Mouse))
Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 58nMAssay Description:Inhibition of mouse plasma BuChE using S-butyrylacetylthiocholine iodide as substrate measured after 30 mins by Ellman's method relative to controlMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DN48JWPubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 260nMAssay Description:Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HH6N9MPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman's assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ363KPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human BuChe using S-butyrylthiocholine iodide as substrate measured after 7 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25D8WNMPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 301nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W66QRKPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 301nMAssay Description:Inhibition of human serum BuChE using acetylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21G0P6QPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 301nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 to 60 mins followed by substrate addition by Ellman's...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2M3301TPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Inhibition of human BuChE using butyrylthiocholine as substrate after 1 min by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2S75JRJPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 370nMMore data for this Ligand-Target Pair
In DepthDetails DrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 380nMAssay Description:Inhibition of human serum BChE using S-Butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's met...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NK3H15PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 495nMAssay Description:Inhibition of equine BuChE using ACTI as substrate preincubated for 29 mins followed by substrate addition measured at 1 min intervals for 10 mins by...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2959N29PubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 560nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by addition of substrate ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T157BPPubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 560nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 20 mins followed by substrate addition by ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24F1V59PubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 678nMAssay Description:Inhibition concentration against human adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2377C79PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 785nMAssay Description:Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition and measured f...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VH5SDBPubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 803nMAssay Description:Inhibition of human BuChE using ACTI as substrate incubated for 40 mins measured at 1 min intervals for 10 mins by Ellman's assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2959N29PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of horse serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W95CC5PubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human serum butyrylcholinesterase using BTCI as substrate pre-incubated for 10 mins followed by substrate addition and measured for 6 m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JD5192PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of equine serum BuChE using BTC as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W099J0PubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.14E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W381DJPubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.22E+3nMAssay Description:Inhibition of human BChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J106T5PubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.22E+3nMAssay Description:Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2833WM3PubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as susbtrate preincubated for 6 mins followed by substrate addition measured up to...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668HJZPubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of equine serum BuChE preincubated for 5 mins followed by addition of butyrylthiocholine iodide as substrate measured after 2 mins by Ellm...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2319XT7PubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.32E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RKVPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.44E+3nMAssay Description:Inhibition of human BuchE using butyrylthiocholine iodide as substrate preincubated for 30 mins followed by substrate addition by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29P35CFPubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.51E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine chloride as substrate preincubated for 15 mins followed by substrate addition by Ellman's m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7F1FPubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine as substrate incubated for 5 mins followed by substrate addition and measured after 5 mins ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21V5JSCPubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.71E+3nMAssay Description:Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated with enzyme for 5 mins followed by substrate addition and m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41W7XPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 2.86E+3nMAssay Description:Inhibition of BuChE (unknown origin) preincubated for 30 mins followed by substrate addition acetylthiocholineiodide measured after 40 mins by Ellman...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P9344PubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human serum BChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FR0187PubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human serum BuChE using acetylcholine iodide as substrate incubated for 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W099J0PubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 4.30E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6GXXPubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 4.88E+3nMMore data for this Ligand-Target Pair
In DepthDetails
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of horse serum butyrylcholinesterase using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition m...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JW8HWFPubMed
TargetCholinesterase(Canis lupus familiaris)
Hebei University

Curated by ChEMBL
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 6.27E+3nMAssay Description:Inhibition of dog serum BChE using butrylthiocholine iodide as substrate by spectrophotometry based Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QR51QFPubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 7.72E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition measured after ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25X2CCQPubMed
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 7.72E+3nMAssay Description:Inhibition of equine serum BuChE preincubated for 15 mins followed by substrate addition and measured after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 9.12E+3nMAssay Description:Inhibition of human CholinesteraseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BuChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 60 to 30...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2D220WFPubMedDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.10E+4nMAssay Description:The potential of the compounds of the present invention to inhibit acetylcholinesterase and butyrylcholinesterase enzymes were tested according to th...More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q24Q7X1CUS PatentDrugBank
TargetCholinesterase(Homo sapiens (Human))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataIC50: 1.42E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J38XKFPubMedDrugBank
TargetCholinesterase(Equus caballus (Horse))TBA
LigandPNGBDBM11682(2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...)copy SMILEScopy InChI
Affinity DataKd:  1.15E+3nMAssay Description:Pseudo-irreversible inhibition of equine serum BuChE assessed as binding affinity in an equilibrium state using butyrylthiocholine iodide as substrat...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2H41W7XPubMed