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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'wendrich' and Initial = 'j'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Cholinesterase


(Homo sapiens (Human))		BDBM50160078
PNG
(CHEMBL3787613)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1
Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)
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n/an/a 13n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured a...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160078
PNG
(CHEMBL3787613)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1
Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)
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n/an/a 14n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160250
PNG
(CHEMBL3785472)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc2c1)C(C)C)c1ccccc1
Show InChI InChI=1S/C26H37N3O2/c1-5-6-7-8-12-17-27-26(30)31-23-15-16-24-22(18-23)19-29(20(2)3)25(28(24)4)21-13-10-9-11-14-21/h9-11,13-16,18,20,25H,5-8,12,17,19H2,1-4H3,(H,27,30)
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n/an/a 21n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160255
PNG
(CHEMBL3785189)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccsc1
Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-12-23-22(26)27-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-28-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)
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n/an/a 22n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160077
PNG
(CHEMBL3785861)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1
Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)
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n/an/a 23n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
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 |r|
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 32n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160247
PNG
(CHEMBL3786119)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(Cc3ccccc3)Cc2c1)c1ccccc1
Show InChI InChI=1S/C18H21NOS/c1-14-6-5-9-16(12-14)21-18(15-7-3-2-4-8-15)17-13-19-10-11-20-17/h2-9,12,17-19H,10-11,13H2,1H3/t17-,18-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160249
PNG
(CHEMBL3785181)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(CCC)Cc2c1)c1ccccc1
Show InChI InChI=1S/C17H19NOS/c1-3-7-14(8-4-1)17(16-13-18-11-12-19-16)20-15-9-5-2-6-10-15/h1-10,16-18H,11-13H2/t16-,17-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160076
PNG
(CHEMBL3787116)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)
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n/an/a 44n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		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 |r|
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 78n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160254
PNG
(CHEMBL3786737)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccoc1
Show InChI InChI=1S/C22H31N3O3/c1-4-5-6-7-8-12-23-22(26)28-19-9-10-20-18(14-19)15-24(2)21(25(20)3)17-11-13-27-16-17/h9-11,13-14,16,21H,4-8,12,15H2,1-3H3,(H,23,26)
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n/an/a 83n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160266
PNG
(CHEMBL3787106)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-14-26-24(29)30-21-12-13-22-19(16-21)17-27(2)23(28(22)3)18-10-9-11-20(25)15-18/h9-13,15-16,23H,4-8,14,17H2,1-3H3,(H,26,29)
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n/an/a 96n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160268
PNG
(CHEMBL3786381)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1
Show InChI InChI=1S/C24H33N3O2/c1-4-5-6-7-11-16-25-24(28)29-21-14-15-22-20(17-21)18-26(2)23(27(22)3)19-12-9-8-10-13-19/h8-10,12-15,17,23H,4-7,11,16,18H2,1-3H3,(H,25,28)
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n/an/a 106n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160267
PNG
(CHEMBL3785533)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)
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n/an/a 115n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160263
PNG
(CHEMBL3786599)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(C)c1
Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-9-15-26-25(29)30-22-13-14-23-21(17-22)18-27(3)24(28(23)4)20-12-10-11-19(2)16-20/h10-14,16-17,24H,5-9,15,18H2,1-4H3,(H,26,29)
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n/an/a 199n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160260
PNG
(CHEMBL3786761)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-9-15-26-25(29)31-22-13-14-23-20(17-22)18-27(2)24(28(23)3)19-11-10-12-21(16-19)30-4/h10-14,16-17,24H,5-9,15,18H2,1-4H3,(H,26,29)
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n/an/a 208n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160264
PNG
(CHEMBL3787432)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(C)cc1
Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-9-16-26-25(29)30-22-14-15-23-21(17-22)18-27(3)24(28(23)4)20-12-10-19(2)11-13-20/h10-15,17,24H,5-9,16,18H2,1-4H3,(H,26,29)
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n/an/a 231n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160259
PNG
(CHEMBL3785401)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1OC
Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-11-16-26-25(29)31-20-14-15-22-19(17-20)18-27(2)24(28(22)3)21-12-9-10-13-23(21)30-4/h9-10,12-15,17,24H,5-8,11,16,18H2,1-4H3,(H,26,29)
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n/an/a 238n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160262
PNG
(CHEMBL3787015)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1C
Show InChI InChI=1S/C25H35N3O2/c1-5-6-7-8-11-16-26-25(29)30-21-14-15-23-20(17-21)18-27(3)24(28(23)4)22-13-10-9-12-19(22)2/h9-10,12-15,17,24H,5-8,11,16,18H2,1-4H3,(H,26,29)
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n/an/a 251n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160252
PNG
(CHEMBL3786979)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H35N3O2/c1-4-5-6-7-10-17-29-28(32)33-25-15-16-26-24(19-25)20-30(2)27(31(26)3)23-14-13-21-11-8-9-12-22(21)18-23/h8-9,11-16,18-19,27H,4-7,10,17,20H2,1-3H3,(H,29,32)
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n/an/a 374n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160265
PNG
(CHEMBL3785143)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccccc1Cl
Show InChI InChI=1S/C24H32ClN3O2/c1-4-5-6-7-10-15-26-24(29)30-19-13-14-22-18(16-19)17-27(2)23(28(22)3)20-11-8-9-12-21(20)25/h8-9,11-14,16,23H,4-7,10,15,17H2,1-3H3,(H,26,29)
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n/an/a 474n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160251
PNG
(CHEMBL3785766)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C24H31Cl2N3O2/c1-4-5-6-7-8-14-27-24(30)31-18-12-13-21-17(15-18)16-28(2)23(29(21)3)22-19(25)10-9-11-20(22)26/h9-13,15,23H,4-8,14,16H2,1-3H3,(H,27,30)
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n/an/a 531n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160256
PNG
(CHEMBL3785190)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccnc1
Show InChI InChI=1S/C23H32N4O2/c1-4-5-6-7-8-14-25-23(28)29-20-11-12-21-19(15-20)17-26(2)22(27(21)3)18-10-9-13-24-16-18/h9-13,15-16,22H,4-8,14,17H2,1-3H3,(H,25,28)
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n/an/a 565n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160257
PNG
(CHEMBL3787554)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccncc1
Show InChI InChI=1S/C23H32N4O2/c1-4-5-6-7-8-13-25-23(28)29-20-9-10-21-19(16-20)17-26(2)22(27(21)3)18-11-14-24-15-12-18/h9-12,14-16,22H,4-8,13,17H2,1-3H3,(H,25,28)
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n/an/a 723n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50160077
PNG
(CHEMBL3785861)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cc[nH]c1
Show InChI InChI=1S/C22H32N4O2/c1-4-5-6-7-8-12-24-22(27)28-19-9-10-20-18(14-19)16-25(2)21(26(20)3)17-11-13-23-15-17/h9-11,13-15,21,23H,4-8,12,16H2,1-3H3,(H,24,27)
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n/an/a 852n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160261
PNG
(CHEMBL3785495)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(OC)cc1
Show InChI InChI=1S/C25H35N3O3/c1-5-6-7-8-9-16-26-25(29)31-22-14-15-23-20(17-22)18-27(2)24(28(23)3)19-10-12-21(30-4)13-11-19/h10-15,17,24H,5-9,16,18H2,1-4H3,(H,26,29)
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n/an/a 875n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50160076
PNG
(CHEMBL3787116)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C24H32FN3O2/c1-4-5-6-7-8-15-26-24(29)30-21-13-14-22-19(16-21)17-27(2)23(28(22)3)18-9-11-20(25)12-10-18/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,26,29)
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n/an/a 1.61E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured aft...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160245
PNG
(CHEMBL3785462)
Show SMILES CCCCCCCNC(=O)Oc1ccc2nc(ncc2c1)-c1ccccc1
Show InChI InChI=1S/C22H25N3O2/c1-2-3-4-5-9-14-23-22(26)27-19-12-13-20-18(15-19)16-24-21(25-20)17-10-7-6-8-11-17/h6-8,10-13,15-16H,2-5,9,14H2,1H3,(H,23,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160181
PNG
(CHEMBL3786505)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccc(Cl)c1
Show InChI InChI=1S/C16H17ClN2O/c1-18-10-12-9-14(20)6-7-15(12)19(2)16(18)11-4-3-5-13(17)8-11/h3-9,16,20H,10H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160086
PNG
(CHEMBL3786447)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccncc1
Show InChI InChI=1S/C15H17N3O/c1-17-10-12-9-13(19)3-4-14(12)18(2)15(17)11-5-7-16-8-6-11/h3-9,15,19H,10H2,1-2H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160258
PNG
(CHEMBL3787268)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C25H32F3N3O2/c1-4-5-6-7-8-15-29-24(32)33-21-13-14-22-19(16-21)17-30(2)23(31(22)3)18-9-11-20(12-10-18)25(26,27)28/h9-14,16,23H,4-8,15,17H2,1-3H3,(H,29,32)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160082
PNG
(CHEMBL3785481)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccc2ccccc12
Show InChI InChI=1S/C20H20N2O/c1-21-13-15-12-16(23)10-11-19(15)22(2)20(21)18-9-5-7-14-6-3-4-8-17(14)18/h3-12,20,23H,13H2,1-2H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160081
PNG
(CHEMBL3786666)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160275
PNG
(CHEMBL3785561)
Show SMILES COc1cccc(c1)C1N(C)Cc2cc(O)ccc2N1C
Show InChI InChI=1S/C17H20N2O2/c1-18-11-13-9-14(20)7-8-16(13)19(2)17(18)12-5-4-6-15(10-12)21-3/h4-10,17,20H,11H2,1-3H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160088
PNG
(CHEMBL3785229)
Show SMILES COc1ccccc1C1N(C)Cc2cc(O)ccc2N1C
Show InChI InChI=1S/C17H20N2O2/c1-18-11-12-10-13(20)8-9-15(12)19(2)17(18)14-6-4-5-7-16(14)21-3/h4-10,17,20H,11H2,1-3H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))		BDBM50160081
PNG
(CHEMBL3786666)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1c(Cl)cccc1Cl
Show InChI InChI=1S/C16H16Cl2N2O/c1-19-9-10-8-11(21)6-7-14(10)20(2)16(19)15-12(17)4-3-5-13(15)18/h3-8,16,21H,9H2,1-2H3
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n/an/a 1.35E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase using acetylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition measured af...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160237
PNG
(CHEMBL3785644)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O/c1-18-10-12-9-14(20)7-8-15(12)19(2)16(18)11-3-5-13(17)6-4-11/h3-9,16,20H,10H2,1-2H3
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n/an/a 1.38E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160270
PNG
(CHEMBL3786576)
Show SMILES CN1C(N(Cc2ccccc2)Cc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C22H22N2O/c1-23-21-13-12-20(25)14-19(21)16-24(15-17-8-4-2-5-9-17)22(23)18-10-6-3-7-11-18/h2-14,22,25H,15-16H2,1H3
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n/an/a 1.48E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160083
PNG
(CHEMBL3786655)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cc[nH]c1
Show InChI InChI=1S/C14H17N3O/c1-16-9-11-7-12(18)3-4-13(11)17(2)14(16)10-5-6-15-8-10/h3-8,14-15,18H,9H2,1-2H3
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n/an/a 1.53E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160271
PNG
(CHEMBL3786390)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H20N2O/c1-21-13-17-12-18(23)9-10-19(17)22(2)20(21)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20,23H,13H2,1-2H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160091
PNG
(CHEMBL3786323)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccc(C)c1
Show InChI InChI=1S/C17H20N2O/c1-12-5-4-6-13(9-12)17-18(2)11-14-10-15(20)7-8-16(14)19(17)3/h4-10,17,20H,11H2,1-3H3
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n/an/a 1.74E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160139
PNG
(CHEMBL3786589)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccc(C)cc1
Show InChI InChI=1S/C17H20N2O/c1-12-4-6-13(7-5-12)17-18(2)11-14-10-15(20)8-9-16(14)19(17)3/h4-10,17,20H,11H2,1-3H3
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n/an/a 2.26E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160079
PNG
(CHEMBL3786544)
Show SMILES CCCN1Cc2cc(O)ccc2N(C)C1c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-3-11-20-13-15-12-16(21)9-10-17(15)19(2)18(20)14-7-5-4-6-8-14/h4-10,12,18,21H,3,11,13H2,1-2H3
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n/an/a 2.28E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160253
PNG
(CHEMBL3786556)
Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccc2ccccc12
Show InChI InChI=1S/C28H35N3O2/c1-4-5-6-7-10-18-29-28(32)33-23-16-17-26-22(19-23)20-30(2)27(31(26)3)25-15-11-13-21-12-8-9-14-24(21)25/h8-9,11-17,19,27H,4-7,10,18,20H2,1-3H3,(H,29,32)
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n/an/a 3.62E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160089
PNG
(CHEMBL3785187)
Show SMILES COc1ccc(cc1)C1N(C)Cc2cc(O)ccc2N1C
Show InChI InChI=1S/C17H20N2O2/c1-18-11-13-10-14(20)6-9-16(13)19(2)17(18)12-4-7-15(21-3)8-5-12/h4-10,17,20H,11H2,1-3H3
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n/an/a 3.95E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160244
PNG
(CHEMBL3785808)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccccc1
Show InChI InChI=1S/C16H18N2O/c1-17-11-13-10-14(19)8-9-15(13)18(2)16(17)12-6-4-3-5-7-12/h3-10,16,19H,11H2,1-2H3
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n/an/a 3.99E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160080
PNG
(CHEMBL3787307)
Show SMILES CC(C)N1Cc2cc(O)ccc2N(C)C1c1ccccc1
Show InChI InChI=1S/C18H22N2O/c1-13(2)20-12-15-11-16(21)9-10-17(15)19(3)18(20)14-7-5-4-6-8-14/h4-11,13,18,21H,12H2,1-3H3
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n/an/a 5.58E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160276
PNG
(CHEMBL3786978)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccccc1Cl
Show InChI InChI=1S/C16H17ClN2O/c1-18-10-11-9-12(20)7-8-15(11)19(2)16(18)13-5-3-4-6-14(13)17/h3-9,16,20H,10H2,1-2H3
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n/an/a 5.60E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160087
PNG
(CHEMBL3787666)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1ccc(F)cc1
Show InChI InChI=1S/C16H17FN2O/c1-18-10-12-9-14(20)7-8-15(12)19(2)16(18)11-3-5-13(17)6-4-11/h3-9,16,20H,10H2,1-2H3
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n/an/a 5.89E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))		BDBM50160085
PNG
(CHEMBL3786843)
Show SMILES CN1Cc2cc(O)ccc2N(C)C1c1cccs1
Show InChI InChI=1S/C14H16N2OS/c1-15-9-10-8-11(17)5-6-12(10)16(2)14(15)13-4-3-7-18-13/h3-8,14,17H,9H2,1-2H3
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n/an/a 6.32E+4n/an/an/an/an/an/a



Universit£t W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 4.5 mins followed by substrate addition me...

J Med Chem 59: 2067-82 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01674
BindingDB Entry DOI: 10.7270/Q25H7J4D
More data for this
Ligand-Target Pair
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