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Compile Data Set for Download or QSAR

Found 102 hits from Alma Mater Studiorum University of Bologna   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cholinesterase


(Homo sapiens (human))
BDBM50189316
PNG
(CHEMBL3827288)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C32H42N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-27-14-7-8-15-29(27)31(35)39-30(28)22-25/h10,12-13,16-17,21-22H,3-9,11,14-15,18-20,23H2,1-2H3,(H,33,36)
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n/an/a 0.270n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189320
PNG
(CHEMBL3827610)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)
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n/an/a 0.280n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189321
PNG
(CHEMBL3827044)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3Cc4cccnc4Oc3c2)c1
Show InChI InChI=1S/C33H43N3O4/c1-3-4-5-6-8-18-35-33(37)39-30-15-11-13-26(22-30)25-36(2)20-9-7-10-21-38-29-17-16-27-23-28-14-12-19-34-32(28)40-31(27)24-29/h11-17,19,22,24H,3-10,18,20-21,23,25H2,1-2H3,(H,35,37)
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n/an/a 0.530n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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n/an/a 0.690n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189319
PNG
(CHEMBL3828693)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C30H40N2O5/c1-3-4-5-6-8-18-31-30(34)36-27-13-11-12-24(21-27)23-32(2)19-9-7-10-20-35-26-16-14-25-15-17-29(33)37-28(25)22-26/h11-17,21-22H,3-10,18-20,23H2,1-2H3,(H,31,34)
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n/an/a 0.790n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189333
PNG
(CHEMBL3827064)
Show SMILES CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc21)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C36H38N2O5/c1-38(22-11-23-41-29-19-20-32-31-17-7-8-18-33(31)35(39)43-34(32)25-29)26-28-15-10-16-30(24-28)42-36(40)37-21-9-3-6-14-27-12-4-2-5-13-27/h2,4-5,7-8,10,12-13,15-20,24-25H,3,6,9,11,14,21-23,26H2,1H3,(H,37,40)
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n/an/a 1.20n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189322
PNG
(CHEMBL3828054)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C31H30N4O5/c36-30-17-13-25-12-16-28(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-10-14-27(15-11-24)39-31(37)32-18-6-2-5-9-23-7-3-1-4-8-23/h1,3-4,7-8,10-17,19,21H,2,5-6,9,18,20,22H2,(H,32,37)
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n/an/a 1.20n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189318
PNG
(CHEMBL3828293)
Show SMILES CN(CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C34H40N2O5/c1-36(22-9-4-10-23-39-30-19-17-29-18-20-33(37)41-32(29)25-30)26-28-15-11-16-31(24-28)40-34(38)35-21-8-3-7-14-27-12-5-2-6-13-27/h2,5-6,11-13,15-20,24-25H,3-4,7-10,14,21-23,26H2,1H3,(H,35,38)
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n/an/a 1.20n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189314
PNG
(CHEMBL3827058)
Show SMILES COc1ccc(cc1)-c1cc2cc(OCCCN(C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)ccc2oc1=O
Show InChI InChI=1S/C39H42N2O6/c1-41(28-30-14-9-15-35(25-30)46-39(43)40-22-8-4-7-13-29-11-5-3-6-12-29)23-10-24-45-34-20-21-37-32(26-34)27-36(38(42)47-37)31-16-18-33(44-2)19-17-31/h3,5-6,9,11-12,14-21,25-27H,4,7-8,10,13,22-24,28H2,1-2H3,(H,40,43)
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n/an/a 1.20n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189335
PNG
(CHEMBL3827589)
Show SMILES COc1ccc(cc1)-c1cc2ccc(OCCCN(C)Cc3cccc(OC(=O)NCCCCCc4ccccc4)c3)cc2oc1=O
Show InChI InChI=1S/C39H42N2O6/c1-41(28-30-14-9-15-35(25-30)46-39(43)40-22-8-4-7-13-29-11-5-3-6-12-29)23-10-24-45-34-21-18-32-26-36(38(42)47-37(32)27-34)31-16-19-33(44-2)20-17-31/h3,5-6,9,11-12,14-21,25-27H,4,7-8,10,13,22-24,28H2,1-2H3,(H,40,43)
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n/an/a 1.30n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 1.40n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189332
PNG
(CHEMBL3827734)
Show SMILES CN(CCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C36H42N2O5/c1-38(22-11-23-41-29-19-20-32-31-17-7-8-18-33(31)35(39)43-34(32)25-29)26-28-15-10-16-30(24-28)42-36(40)37-21-9-3-6-14-27-12-4-2-5-13-27/h2,4-5,10,12-13,15-16,19-20,24-25H,3,6-9,11,14,17-18,21-23,26H2,1H3,(H,37,40)
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n/an/a 1.40n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189334
PNG
(CHEMBL3828631)
Show SMILES CN(CCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C38H40N2O5/c1-40(23-12-24-43-33-21-20-32-26-35(31-17-8-3-9-18-31)37(41)45-36(32)27-33)28-30-16-11-19-34(25-30)44-38(42)39-22-10-4-7-15-29-13-5-2-6-14-29/h2-3,5-6,8-9,11,13-14,16-21,25-27H,4,7,10,12,15,22-24,28H2,1H3,(H,39,42)
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n/an/a 2.10n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189331
PNG
(CHEMBL3828259)
Show SMILES CN(CCCOc1ccc2c(C)cc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C33H38N2O5/c1-25-21-32(36)40-31-23-28(16-17-30(25)31)38-20-10-19-35(2)24-27-14-9-15-29(22-27)39-33(37)34-18-8-4-7-13-26-11-5-3-6-12-26/h3,5-6,9,11-12,14-17,21-23H,4,7-8,10,13,18-20,24H2,1-2H3,(H,34,37)
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n/an/a 2.80n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189317
PNG
(CHEMBL3827432)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C33H38N2O5/c1-35(21-10-22-38-29-18-16-28-17-19-32(36)40-31(28)24-29)25-27-14-9-15-30(23-27)39-33(37)34-20-8-3-2-5-11-26-12-6-4-7-13-26/h4,6-7,9,12-19,23-24H,2-3,5,8,10-11,20-22,25H2,1H3,(H,34,37)
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n/an/a 2.90n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189315
PNG
(CHEMBL3827189)
Show SMILES CN(CCCOc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C38H39ClN2O5/c1-41(27-29-13-8-14-34(24-29)45-38(43)40-21-7-3-6-12-28-10-4-2-5-11-28)22-9-23-44-33-20-17-31-25-35(37(42)46-36(31)26-33)30-15-18-32(39)19-16-30/h2,4-5,8,10-11,13-20,24-26H,3,6-7,9,12,21-23,27H2,1H3,(H,40,43)
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n/an/a 3.5n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189321
PNG
(CHEMBL3827044)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3Cc4cccnc4Oc3c2)c1
Show InChI InChI=1S/C33H43N3O4/c1-3-4-5-6-8-18-35-33(37)39-30-15-11-13-26(22-30)25-36(2)20-9-7-10-21-38-29-17-16-27-23-28-14-12-19-34-32(28)40-31(27)24-29/h11-17,19,22,24H,3-10,18,20-21,23,25H2,1-2H3,(H,35,37)
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n/an/a 6.90n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189319
PNG
(CHEMBL3828693)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C30H40N2O5/c1-3-4-5-6-8-18-31-30(34)36-27-13-11-12-24(21-27)23-32(2)19-9-7-10-20-35-26-16-14-25-15-17-29(33)37-28(25)22-26/h11-17,21-22H,3-10,18-20,23H2,1-2H3,(H,31,34)
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n/an/a 11n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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n/an/a 13n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189327
PNG
(CHEMBL3828281)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C30H28N4O5/c35-29-16-14-23-13-15-26(19-28(23)39-29)37-21-24-20-34(33-32-24)25-11-7-12-27(18-25)38-30(36)31-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,7-9,11-16,18-20H,2,5-6,10,17,21H2,(H,31,36)
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n/an/a 15n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 16n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 16n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189320
PNG
(CHEMBL3827610)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)
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n/an/a 18n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189328
PNG
(CHEMBL3826998)
Show SMILES CCCCCCCNC(=O)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-15-27-26(32)34-22-12-9-21(10-13-22)30-17-20(28-29-30)18-33-23-11-7-19-8-14-25(31)35-24(19)16-23/h7-14,16-17H,2-6,15,18H2,1H3,(H,27,32)
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n/an/a 21n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189316
PNG
(CHEMBL3827288)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C32H42N2O5/c1-3-4-5-6-9-18-33-32(36)38-26-13-10-12-24(21-26)23-34(2)19-11-20-37-25-16-17-28-27-14-7-8-15-29(27)31(35)39-30(28)22-25/h10,12-13,16-17,21-22H,3-9,11,14-15,18-20,23H2,1-2H3,(H,33,36)
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n/an/a 22n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 24n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane at pH 9 using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 10 mins followed by substrate ...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189323
PNG
(CHEMBL3827220)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
Show InChI InChI=1S/C31H30N4O5/c36-30-16-14-25-13-15-27(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-11-7-12-28(18-24)39-31(37)32-17-6-2-5-10-23-8-3-1-4-9-23/h1,3-4,7-9,11-16,18-19,21H,2,5-6,10,17,20,22H2,(H,32,37)
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n/an/a 28n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189322
PNG
(CHEMBL3828054)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C31H30N4O5/c36-30-17-13-25-12-16-28(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-10-14-27(15-11-24)39-31(37)32-18-6-2-5-9-23-7-3-1-4-8-23/h1,3-4,7-8,10-17,19,21H,2,5-6,9,18,20,22H2,(H,32,37)
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n/an/a 29n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 29n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189330
PNG
(CHEMBL3827765)
Show SMILES CCCCCCc1ccc(NC(=O)Oc2cccc(CN(C)CCCOc3ccc4ccc(=O)oc4c3)c2)cc1
Show InChI InChI=1S/C33H38N2O5/c1-3-4-5-6-9-25-12-16-28(17-13-25)34-33(37)39-30-11-7-10-26(22-30)24-35(2)20-8-21-38-29-18-14-27-15-19-32(36)40-31(27)23-29/h7,10-19,22-23H,3-6,8-9,20-21,24H2,1-2H3,(H,34,37)
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n/an/a 32n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189325
PNG
(CHEMBL3827284)
Show SMILES CCCCCCCNC(=O)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-14-28-27(33)35-24-9-7-8-20(15-24)17-31-18-22(29-30-31)19-34-23-12-10-21-11-13-26(32)36-25(21)16-23/h7-13,15-16,18H,2-6,14,17,19H2,1H3,(H,28,33)
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n/an/a 33n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM10925
PNG
(3-{[methyl({3-[(2-oxo-2H-chromen-7-yl)oxy]propyl})...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccc(=O)oc3c2)c1
Show InChI InChI=1S/C28H36N2O5/c1-3-4-5-6-7-16-29-28(32)34-25-11-8-10-22(19-25)21-30(2)17-9-18-33-24-14-12-23-13-15-27(31)35-26(23)20-24/h8,10-15,19-20H,3-7,9,16-18,21H2,1-2H3,(H,29,32)
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n/an/a 37n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189326
PNG
(CHEMBL3827950)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C30H28N4O5/c35-29-17-11-23-10-14-27(19-28(23)39-29)37-21-24-20-34(33-32-24)25-12-15-26(16-13-25)38-30(36)31-18-6-2-5-9-22-7-3-1-4-8-22/h1,3-4,7-8,10-17,19-20H,2,5-6,9,18,21H2,(H,31,36)
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n/an/a 43n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189323
PNG
(CHEMBL3827220)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
Show InChI InChI=1S/C31H30N4O5/c36-30-16-14-25-13-15-27(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-11-7-12-28(18-24)39-31(37)32-17-6-2-5-10-23-8-3-1-4-9-23/h1,3-4,7-9,11-16,18-19,21H,2,5-6,10,17,20,22H2,(H,32,37)
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n/an/a 43n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189327
PNG
(CHEMBL3828281)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C30H28N4O5/c35-29-16-14-23-13-15-26(19-28(23)39-29)37-21-24-20-34(33-32-24)25-11-7-12-27(18-25)38-30(36)31-17-6-2-5-10-22-8-3-1-4-9-22/h1,3-4,7-9,11-16,18-20H,2,5-6,10,17,21H2,(H,31,36)
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n/an/a 45n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189324
PNG
(CHEMBL3828696)
Show SMILES CCCCCCCNC(=O)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-15-28-27(33)35-23-11-7-20(8-12-23)17-31-18-22(29-30-31)19-34-24-13-9-21-10-14-26(32)36-25(21)16-24/h7-14,16,18H,2-6,15,17,19H2,1H3,(H,28,33)
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n/an/a 55n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 62n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189329
PNG
(CHEMBL3828443)
Show SMILES CCCCCCCNC(=O)Oc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C26H28N4O5/c1-2-3-4-5-6-14-27-26(32)34-23-9-7-8-21(15-23)30-17-20(28-29-30)18-33-22-12-10-19-11-13-25(31)35-24(19)16-22/h7-13,15-17H,2-6,14,18H2,1H3,(H,27,32)
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n/an/a 71n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50189325
PNG
(CHEMBL3827284)
Show SMILES CCCCCCCNC(=O)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-14-28-27(33)35-24-9-7-8-20(15-24)17-31-18-22(29-30-31)19-34-23-12-10-21-11-13-26(32)36-25(21)16-23/h7-13,15-16,18H,2-6,14,17,19H2,1H3,(H,28,33)
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n/an/a 78n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's meth...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189331
PNG
(CHEMBL3828259)
Show SMILES CN(CCCOc1ccc2c(C)cc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C33H38N2O5/c1-25-21-32(36)40-31-23-28(16-17-30(25)31)38-20-10-19-35(2)24-27-14-9-15-29(22-27)39-33(37)34-18-8-4-7-13-26-11-5-3-6-12-26/h3,5-6,9,11-12,14-17,21-23H,4,7-8,10,13,18-20,24H2,1-2H3,(H,34,37)
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n/an/a 81n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189318
PNG
(CHEMBL3828293)
Show SMILES CN(CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C34H40N2O5/c1-36(22-9-4-10-23-39-30-19-17-29-18-20-33(37)41-32(29)25-30)26-28-15-11-16-31(24-28)40-34(38)35-21-8-3-7-14-27-12-5-2-6-13-27/h2,5-6,11-13,15-20,24-25H,3-4,7-10,14,21-23,26H2,1H3,(H,35,38)
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n/an/a 88n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189332
PNG
(CHEMBL3827734)
Show SMILES CN(CCCOc1ccc2c3CCCCc3c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C36H42N2O5/c1-38(22-11-23-41-29-19-20-32-31-17-7-8-18-33(31)35(39)43-34(32)25-29)26-28-15-10-16-30(24-28)42-36(40)37-21-9-3-6-14-27-12-4-2-5-13-27/h2,4-5,10,12-13,15-16,19-20,24-25H,3,6-9,11,14,17-18,21-23,26H2,1H3,(H,37,40)
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n/an/a 90n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189320
PNG
(CHEMBL3827610)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCCCOc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C34H46N2O5/c1-3-4-5-6-10-20-35-34(38)40-28-15-13-14-26(23-28)25-36(2)21-11-7-12-22-39-27-18-19-30-29-16-8-9-17-31(29)33(37)41-32(30)24-27/h13-15,18-19,23-24H,3-12,16-17,20-22,25H2,1-2H3,(H,35,38)
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n/an/a 109n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189325
PNG
(CHEMBL3827284)
Show SMILES CCCCCCCNC(=O)Oc1cccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)c1
Show InChI InChI=1S/C27H30N4O5/c1-2-3-4-5-6-14-28-27(33)35-24-9-7-8-20(15-24)17-31-18-22(29-30-31)19-34-23-12-10-21-11-13-26(32)36-25(21)16-23/h7-13,15-16,18H,2-6,14,17,19H2,1H3,(H,28,33)
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n/an/a 109n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189317
PNG
(CHEMBL3827432)
Show SMILES CN(CCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCCc2ccccc2)c1
Show InChI InChI=1S/C33H38N2O5/c1-35(21-10-22-38-29-18-16-28-17-19-32(36)40-31(28)24-29)25-27-14-9-15-30(23-27)39-33(37)34-20-8-3-2-5-11-26-12-6-4-7-13-26/h4,6-7,9,12-19,23-24H,2-3,5,8,10-11,20-22,25H2,1H3,(H,34,37)
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n/an/a 109n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189322
PNG
(CHEMBL3828054)
Show SMILES O=C(NCCCCCc1ccccc1)Oc1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1
Show InChI InChI=1S/C31H30N4O5/c36-30-17-13-25-12-16-28(19-29(25)40-30)38-22-26-21-35(34-33-26)20-24-10-14-27(15-11-24)39-31(37)32-18-6-2-5-9-23-7-3-1-4-8-23/h1,3-4,7-8,10-17,19,21H,2,5-6,9,18,20,22H2,(H,32,37)
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n/an/a 113n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189318
PNG
(CHEMBL3828293)
Show SMILES CN(CCCCCOc1ccc2ccc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C34H40N2O5/c1-36(22-9-4-10-23-39-30-19-17-29-18-20-33(37)41-32(29)25-30)26-28-15-11-16-31(24-28)40-34(38)35-21-8-3-7-14-27-12-5-2-6-13-27/h2,5-6,11-13,15-20,24-25H,3-4,7-10,14,21-23,26H2,1H3,(H,35,38)
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n/an/a 120n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50189334
PNG
(CHEMBL3828631)
Show SMILES CN(CCCOc1ccc2cc(-c3ccccc3)c(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C38H40N2O5/c1-40(23-12-24-43-33-21-20-32-26-35(31-17-8-3-9-18-31)37(41)45-36(32)27-33)28-30-16-11-19-34(25-30)44-38(42)39-22-10-4-7-15-29-13-5-2-6-14-29/h2-3,5-6,8-9,11,13-14,16-21,25-27H,4,7,10,12,15,22-24,28H2,1H3,(H,39,42)
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n/an/a 125n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate preincubated for 120 mins followed by subs...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50189331
PNG
(CHEMBL3828259)
Show SMILES CN(CCCOc1ccc2c(C)cc(=O)oc2c1)Cc1cccc(OC(=O)NCCCCCc2ccccc2)c1
Show InChI InChI=1S/C33H38N2O5/c1-25-21-32(36)40-31-23-28(16-17-30(25)31)38-20-10-19-35(2)24-27-14-9-15-29(22-27)39-33(37)34-18-8-4-7-13-26-11-5-3-6-12-26/h3,5-6,9,11-12,14-17,21-23H,4,7-8,10,13,18-20,24H2,1-2H3,(H,34,37)
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n/an/a 135n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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n/an/a 141n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane at pH 7.4 using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 10 mins followed by substrat...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
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