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Compile Data Set for Download or QSAR

Found 6184 hits of ic50 data for polymerid = 3619   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510870
PNG
(CHEMBL4543251)
Show SMILES Fc1ccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C29H33FN4O/c30-21-13-14-27-24(18-21)29(23-9-4-6-11-26(23)34-27)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510848
PNG
(CHEMBL4468781)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Show InChI InChI=1S/C30H34Cl2N4O2/c1-38-21-10-11-25-23(17-21)19(18-35-25)12-14-33-28(37)9-3-2-6-13-34-30-22-7-4-5-8-26(22)36-27-16-20(31)15-24(32)29(27)30/h10-11,15-18,35H,2-9,12-14H2,1H3,(H,33,37)(H,34,36)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9015
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9017
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510849
PNG
(CHEMBL4579667)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c36-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(37)14-4-2-1-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34,36H,1-4,6,8-9,11,13-14,17-19H2,(H,32,37)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9006
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9011
PNG
(6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510865
PNG
(CHEMBL4532770)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C32H40N4O2/c1-38-24-16-17-28-27(21-24)23(22-35-28)18-20-33-31(37)15-5-3-2-4-10-19-34-32-25-11-6-8-13-29(25)36-30-14-9-7-12-26(30)32/h6,8,11,13,16-17,21-22,35H,2-5,7,9-10,12,14-15,18-20H2,1H3,(H,33,37)(H,34,36)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9018
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510867
PNG
(CHEMBL4469239)
Show SMILES S=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C29H34N4S/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510868
PNG
(CHEMBL4448350)
Show SMILES Clc1cccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc12
Show InChI InChI=1S/C29H33ClN4O/c30-24-12-8-11-23-28(22-10-4-6-14-26(22)34-29(23)24)32-17-7-1-2-15-27(35)31-18-16-20-19-33-25-13-5-3-9-21(20)25/h3,5,8-9,11-13,19,33H,1-2,4,6-7,10,14-18H2,(H,31,35)(H,32,34)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510869
PNG
(CHEMBL4443426)
Show SMILES O=C(CCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H32N4O/c33-27(29-18-16-20-19-31-24-12-4-1-9-21(20)24)15-7-8-17-30-28-22-10-2-5-13-25(22)32-26-14-6-3-11-23(26)28/h1-2,4-5,9-10,12-13,19,31H,3,6-8,11,14-18H2,(H,29,33)(H,30,32)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9016
PNG
(6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510837
PNG
(CHEMBL4467284)
Show SMILES S=C(CCCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H38N4S/c36-30(32-21-19-23-22-34-27-15-8-5-12-24(23)27)18-4-2-1-3-11-20-33-31-25-13-6-9-16-28(25)35-29-17-10-7-14-26(29)31/h5-6,8-9,12-13,15-16,22,34H,1-4,7,10-11,14,17-21H2,(H,32,36)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9007
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510845
PNG
(CHEMBL4556734)
Show SMILES O=C(CCCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C31H38N4O/c36-30(32-21-19-23-22-34-27-15-8-5-12-24(23)27)18-4-2-1-3-11-20-33-31-25-13-6-9-16-28(25)35-29-17-10-7-14-26(29)31/h5-6,8-9,12-13,15-16,22,34H,1-4,7,10-11,14,17-21H2,(H,32,36)(H,33,35)
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CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9008
PNG
(6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510846
PNG
(CHEMBL4590945)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C31H36Cl2N4O/c32-22-18-25(33)30-28(19-22)37-27-13-8-6-11-24(27)31(30)35-16-9-3-1-2-4-14-29(38)34-17-15-21-20-36-26-12-7-5-10-23(21)26/h5,7,10,12,18-20,36H,1-4,6,8-9,11,13-17H2,(H,34,38)(H,35,37)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50510847
PNG
(CHEMBL4455677)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C29H34N4O2/c1-35-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(34)12-6-7-16-31-29-22-8-2-4-10-26(22)33-27-11-5-3-9-23(27)29/h2,4,8,10,13-14,18-19,32H,3,5-7,9,11-12,15-17H2,1H3,(H,30,34)(H,31,33)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9013
PNG
(6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9014
PNG
(7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)
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n/an/a 0.00500n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50049862
PNG
(CHEMBL3322232)
Show SMILES Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)
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n/an/a 0.00600n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis


Eur J Med Chem 84: 107-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.021
BindingDB Entry DOI: 10.7270/Q2571DNF
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50523376
PNG
(CHEMBL4589980)
Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Show InChI InChI=1S/C30H35ClN4O/c31-24-12-9-15-27-29(24)30(23-11-5-7-14-26(23)35-27)33-18-8-2-1-3-16-28(36)32-19-17-21-20-34-25-13-6-4-10-22(21)25/h4,6,9-10,12-13,15,20,34H,1-3,5,7-8,11,14,16-19H2,(H,32,36)(H,33,35)
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n/an/a 0.00800n/an/an/an/an/an/a



University of Hradec Kralove

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...


Eur J Med Chem 168: 491-514 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.021
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9012
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)
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n/an/a 0.00800n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.0130n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate incubated for 20 min prior to substrate addition measured after 20 mi...


Citation and Details

Article DOI: 10.1007/s00044-011-9581-9
BindingDB Entry DOI: 10.7270/Q2B27Z5W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50318731
PNG
(3-(1H-indol-3-yl)-N-(6-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C30H36N4O/c35-29(18-17-22-21-33-26-14-6-3-11-23(22)26)31-19-9-1-2-10-20-32-30-24-12-4-7-15-27(24)34-28-16-8-5-13-25(28)30/h3-4,6-7,11-12,14-15,21,33H,1-2,5,8-10,13,16-20H2,(H,31,35)(H,32,34)
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n/an/a 0.0200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of AChE (unknown origin) using acetyl thiocholine iodide as substrate after 30 mins by Ellman's method


Citation and Details

Article DOI: 10.1007/s00044-013-0847-2
BindingDB Entry DOI: 10.7270/Q26Q216K
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380559
PNG
(CHEMBL2019048)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O5/c1-42-23-19-28(39)32-29(40)21-31(43-30(32)20-23)34(41)37-17-11-7-5-3-2-4-6-10-16-36-33-24-12-8-9-13-26(24)38-27-18-22(35)14-15-25(27)33/h14-15,18-21,39H,2-13,16-17H2,1H3,(H,36,38)(H,37,41)
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n/an/a 0.0400n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9017
PNG
(7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)
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n/an/a 0.0400n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50022775
PNG
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
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n/an/a 0.0430n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholine esterase


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50318732
PNG
(3-(1H-indol-3-yl)-N-(7-(1,2,3,4-tetrahydroacridin-...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C31H38N4O/c36-30(19-18-23-22-34-27-15-7-4-12-24(23)27)32-20-10-2-1-3-11-21-33-31-25-13-5-8-16-28(25)35-29-17-9-6-14-26(29)31/h4-5,7-8,12-13,15-16,22,34H,1-3,6,9-11,14,17-21H2,(H,32,36)(H,33,35)
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n/an/a 0.0600n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380558
PNG
(CHEMBL2019049)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H38ClN3O5/c34-21-13-14-24-26(17-21)37-25-12-8-7-11-23(25)32(24)35-15-9-5-3-1-2-4-6-10-16-36-33(41)30-20-28(40)31-27(39)18-22(38)19-29(31)42-30/h13-14,17-20,38-39H,1-12,15-16H2,(H,35,37)(H,36,41)
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n/an/a 0.0700n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9054
PNG
(6-chloro-N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin...)
Show SMILES Clc1ccc2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C33H38Cl2N4/c34-22-14-16-26-30(20-22)38-28-12-6-4-10-24(28)32(26)36-18-8-2-1-3-9-19-37-33-25-11-5-7-13-29(25)39-31-21-23(35)15-17-27(31)33/h14-17,20-21H,1-13,18-19H2,(H,36,38)(H,37,39)
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n/an/a 0.0700n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380547
PNG
(CHEMBL2019053)
Show SMILES Oc1cc2oc(cc(=O)c2cc1O)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H38ClN3O5/c34-21-13-14-23-26(17-21)37-25-12-8-7-11-22(25)32(23)35-15-9-5-3-1-2-4-6-10-16-36-33(41)31-19-27(38)24-18-28(39)29(40)20-30(24)42-31/h13-14,17-20,39-40H,1-12,15-16H2,(H,35,37)(H,36,41)
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n/an/a 0.0900n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50541529
PNG
(CHEMBL4647106)
Show SMILES COc1ccc(cc1OC)[C@H](O)[C@H](N)C(O)=O
Show InChI InChI=1S/C11H15NO5/c1-16-7-4-3-6(5-8(7)17-2)10(13)9(12)11(14)15/h3-5,9-10,13H,12H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Universidad Aut£noma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition and ...


J Nat Prod 83: 1424-1431 (2020)


Article DOI: 10.1021/acs.jnatprod.9b00759
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380552
PNG
(CHEMBL2019035)
Show SMILES COc1ccc2oc(cc(=O)c2c1)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C34H40ClN3O4/c1-41-24-15-17-31-27(21-24)30(39)22-32(42-31)34(40)37-19-11-7-5-3-2-4-6-10-18-36-33-25-12-8-9-13-28(25)38-29-20-23(35)14-16-26(29)33/h14-17,20-22H,2-13,18-19H2,1H3,(H,36,38)(H,37,40)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9009
PNG
(7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...)
Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.100n/an/an/an/an/an/a



Instituto de Quimica Medica (CSIC)



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...


J Med Chem 49: 459-62 (2006)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2VD6WN2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 0.120n/an/an/an/an/an/a



Madurai Kamaraj University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin) using acetylcholine as substrate preincubated for 15 mins followed by substrate addition measured every minute by...


Bioorg Med Chem Lett 27: 3071-3075 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.050
BindingDB Entry DOI: 10.7270/Q2BG2RDS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50380550
PNG
(CHEMBL2019041)
Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Show InChI InChI=1S/C35H42ClN3O5/c1-42-31-20-26-29(40)21-33(44-30(26)22-32(31)43-2)35(41)38-18-12-8-6-4-3-5-7-11-17-37-34-24-13-9-10-14-27(24)39-28-19-23(36)15-16-25(28)34/h15-16,19-22H,3-14,17-18H2,1-2H3,(H,37,39)(H,38,41)
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n/an/a 0.200n/an/an/an/an/an/a



Instituto de Qu£mica M£dica

Curated by ChEMBL


Assay Description
Inhibition of human erythrocytes AChE by Ellman's method


J Med Chem 55: 1303-17 (2012)


Article DOI: 10.1021/jm201460y
BindingDB Entry DOI: 10.7270/Q2M32WS2
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM9035
PNG
(Indole-Tacrine Heterodimer 18 | N-[7-(6-Chloro-1,2...)
Show SMILES Clc1ccc2c(NCCCCCCCNC(=O)Cc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-13-7-5-11-24(27)30(25)33-17-9-3-1-2-8-16-32-29(36)18-21-20-34-26-12-6-4-10-23(21)26/h4,6,10,12,14-15,19-20,34H,1-3,5,7-9,11,13,16-18H2,(H,32,36)(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM8963
PNG
(CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...)
Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)
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n/an/a 0.200n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Eur J Med Chem 45: 1167-72 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.038
BindingDB Entry DOI: 10.7270/Q25H7GFM
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50355819
PNG
(CHEMBL1912059)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCC[C@@H]3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)/t18-/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay


Eur J Med Chem 46: 5435-42 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.001
BindingDB Entry DOI: 10.7270/Q2ZS2WXV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50362877
PNG
(CHEMBL1940738)
Show SMILES COc1cc2oc(=O)c(OCCCCOc3cc(O)cc(c3)N(C)C)c(C)c2cc1OC
Show InChI InChI=1S/C24H29NO7/c1-15-19-13-21(28-4)22(29-5)14-20(19)32-24(27)23(15)31-9-7-6-8-30-18-11-16(25(2)3)10-17(26)12-18/h10-14,26H,6-9H2,1-5H3
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n/an/a 0.236n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE


Bioorg Med Chem 20: 1175-80 (2012)


Article DOI: 10.1016/j.bmc.2011.12.042
BindingDB Entry DOI: 10.7270/Q2FN16NK
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human AchE


J Med Chem 51: 347-72 (2008)


Article DOI: 10.1021/jm7009364
BindingDB Entry DOI: 10.7270/Q25B039W
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.25n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


Eur J Med Chem 151: 62-97 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.057
BindingDB Entry DOI: 10.7270/Q2NC63V1
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.25n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of AChE (unknown origin)


J Med Chem 57: 2821-31 (2014)


Article DOI: 10.1021/jm400970m
BindingDB Entry DOI: 10.7270/Q2PK0HPV
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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155 -9.66 0.253n/an/an/an/a8.037



University of Bologna



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Enzyme activity was determined by measuring the absorbance at...


J Med Chem 48: 360-3 (2005)


Article DOI: 10.1021/jm049112h
BindingDB Entry DOI: 10.7270/Q2JQ0Z7J
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM10512
PNG
(CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...)
Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1
Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)
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n/an/a 0.253n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum recombinant AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assay


Eur J Med Chem 46: 5435-42 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.001
BindingDB Entry DOI: 10.7270/Q2ZS2WXV
More data for this
Ligand-Target Pair
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