Compile Data Set for Download or QSAR

Found 98 hits with Last Name = 'ghobadian' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cholinesterase (Equus caballus (Horse))	BDBM50464028 (CHEMBL4241164) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 10 mins followed by subst...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422387 (CHEMBL4159171) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-burk plot analysis				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50422394 (CHEMBL3558149) Show SMILES Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C36H62N4O2/c1-41-35-23-13-11-21-33(35)31-39(29-19-9-5-15-25-37)27-17-7-3-4-8-18-28-40(30-20-10-6-16-26-38)32-34-22-12-14-24-36(34)42-2/h11-14,21-24H,3-10,15-20,25-32,37-38H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 6 mi...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C41H64N8O14/c1-20(2)16-27(46-39(60)28(19-31(43)51)47-40(61)34(21(3)4)49-37(58)25(42)12-14-32(52)53)30(50)17-22(5)35(56)44-23(6)36(57)45-26(13-15-33(54)55)38(59)48-29(41(62)63)18-24-10-8-7-9-11-24/h7-11,20-23,25-30,34,50H,12-19,42H2,1-6H3,(H2,43,51)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,48,59)(H,49,58)(H,52,53)(H,54,55)(H,62,63)/t22-,23+,25+,26+,27+,28+,29+,30+,34+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE1 (1 to 460 residues) expressed in baculovirus-infected insect cells using Rh-EVNLDAEFK-quencher as substrate mea...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-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	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured f...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10949 (3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dim...) Show SMILES COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC Show InChI InChI=1S/C26H25NO4/c1-27(16-18-7-5-4-6-8-18)17-19-9-11-20(12-10-19)22-13-21-14-24(29-2)25(30-3)15-23(21)31-26(22)28/h4-15H,16-17H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human AChE				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464028 (CHEMBL4241164) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422387 (CHEMBL4159171) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C52H76N4O2/c1-53-35-17-7-5-6-8-18-36-54(2)38-20-10-12-22-40-56(44-50-24-14-16-26-52(50)58-4)42-46-29-33-48(34-30-46)47-31-27-45(28-32-47)41-55(39-21-11-9-19-37-53)43-49-23-13-15-25-51(49)57-3/h13-16,23-34H,5-12,17-22,35-44H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422386 (CHEMBL4169820) Show SMILES Cc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C52H78N4O2/c1-4-5-6-7-8-12-21-36-56(44-50-30-15-17-32-52(50)58-3)37-22-13-11-20-34-54-42-48-28-24-26-46(40-48)38-45-25-23-27-47(39-45)41-53-33-18-9-10-19-35-55-43-49-29-14-16-31-51(49)57-2/h14-17,23-32,39-40,53-55H,4-13,18-22,33-38,41-44H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464019 (CHEMBL4245106) Show SMILES [Cl-].Cc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C26H23N2/c1-20-12-14-21(15-13-20)17-27-16-6-7-22(18-27)19-28-25-10-4-2-8-23(25)24-9-3-5-11-26(24)28/h2-16,18H,17,19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464031 (CHEMBL4248896) Show SMILES [Br-].Fc1ccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C25H20FN2/c26-21-13-11-19(12-14-21)16-27-15-5-6-20(17-27)18-28-24-9-3-1-7-22(24)23-8-2-4-10-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464025 (CHEMBL4244170) Show SMILES [Br-].Clc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)c1 Show InChI InChI=1S/C25H20ClN2/c26-21-9-5-7-19(15-21)16-27-14-6-8-20(17-27)18-28-24-12-3-1-10-22(24)23-11-2-4-13-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421756 (CHEMBL4161385) Show SMILES [Cl-].Clc1ccccc1C[n+]1cccc(Cn2c3CCCCc3c3ccccc23)c1 Show InChI InChI=1S/C14H15NO2S/c1-9-8-18-14(17)12-6-10-4-2-3-5-11(10)7-15(12)13(9)16/h2-5,9,12H,6-8H2,1H3/t9-,12+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421747 (CHEMBL4171576) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C11H17NO2S/c1-7-11(14)15-8(2)10(13)12(7)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464021 (CHEMBL4241338) Show SMILES [Br-].Cc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc23)c1 Show InChI InChI=1S/C26H23N2/c1-20-9-2-3-11-22(20)19-27-16-8-10-21(17-27)18-28-25-14-6-4-12-23(25)24-13-5-7-15-26(24)28/h2-17H,18-19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421752 (CHEMBL4166704) Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(Cn3c4CCCCc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C8H11NO2S2/c1-5-2-13-8(11)6-3-12-4-9(6)7(5)10/h5-6H,2-4H2,1H3/t5?,6-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421757 (CHEMBL4160961) Show SMILES [Cl-].Clc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C12H19NO2S/c1-8-10(14)13(9-6-4-5-7-9)12(2,3)11(15)16-8/h8-9H,4-7H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421744 (CHEMBL4161962) Show SMILES [Br-].Clc1cccc(C[n+]2ccc(Cn3c4CCCCc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C13H15NO2S/c1-9-3-5-11(6-4-9)14-7-12(15)17-8-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464029 (CHEMBL4242583) Show SMILES [Br-].C(c1ccc[n+](Cc2ccccc2)c1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C25H21N2/c1-2-9-20(10-3-1)17-26-16-8-11-21(18-26)19-27-24-14-6-4-12-22(24)23-13-5-7-15-25(23)27/h1-16,18H,17,19H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464030 (CHEMBL4244620) Show SMILES [Cl-].Cc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)c1 Show InChI InChI=1S/C26H23N2/c1-20-8-6-9-21(16-20)17-27-15-7-10-22(18-27)19-28-25-13-4-2-11-23(25)24-12-3-5-14-26(24)28/h2-16,18H,17,19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50422396 (CHEMBL4159647) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(Cn2c3CCCCc3c3ccccc23)cc1 Show InChI InChI=1S/C40H70N4O2/c1-45-39-27-17-15-25-37(39)35-43-33-23-13-11-21-31-41-29-19-9-7-5-3-4-6-8-10-20-30-42-32-22-12-14-24-34-44-36-38-26-16-18-28-40(38)46-2/h15-18,25-28,41-44H,3-14,19-24,29-36H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464026 (CHEMBL4240662) Show SMILES [Br-].Clc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C25H20ClN2/c26-21-7-5-6-20(16-21)17-27-14-12-19(13-15-27)18-28-24-10-3-1-8-22(24)23-9-2-4-11-25(23)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8960 ((+/-)-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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464027 (CHEMBL4243615) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1 Show InChI InChI=1S/C26H23N2/c1-20-8-2-3-9-22(20)19-27-16-14-21(15-17-27)18-28-25-12-6-4-10-23(25)24-11-5-7-13-26(24)28/h2-17H,18-19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464017 (CHEMBL4247756) Show SMILES [Cl-].Fc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc23)c1 Show InChI InChI=1S/C25H20FN2/c26-23-12-4-1-9-20(23)18-27-15-7-8-19(16-27)17-28-24-13-5-2-10-21(24)22-11-3-6-14-25(22)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421749 (CHEMBL4173247) Show SMILES [Br-].C(c1ccc[n+](Cc2ccccc2)c1)n1c2CCCCc2c2ccccc12 Show InChI InChI=1S/C15H17NO3S/c1-19-12-8-4-7-11-14(12)20-13(17)9-16(15(11)18)10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421748 (CHEMBL4159886) Show SMILES [Cl-].Cc1ccccc1C[n+]1cccc(Cn2c3CCCCc3c3ccccc23)c1 Show InChI InChI=1S/C7H9NO2S2/c1-4-6(9)8-3-11-2-5(8)7(10)12-4/h4-5H,2-3H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464022 (CHEMBL4244767) Show SMILES [Cl-].Clc1ccccc1C[n+]1cccc(Cn2c3ccccc3c3ccccc23)c1 Show InChI InChI=1S/C25H20ClN2/c26-23-12-4-1-9-20(23)18-27-15-7-8-19(16-27)17-28-24-13-5-2-10-21(24)22-11-3-6-14-25(22)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421751 (CHEMBL4174929) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(Cn2c3CCCCc3c3ccccc23)cc1 Show InChI InChI=1S/C13H19NO2S/c1-8-7-17-12(15)6-14(13(8)16)11-5-9-2-3-10(11)4-9/h8-11H,2-7H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421755 (CHEMBL4169308) Show SMILES [Br-].C(c1cc[n+](Cc2ccccc2)cc1)n1c2CCCCc2c2ccccc12 Show InChI InChI=1S/C14H15NO2S/c16-13-9-15(10-5-1-2-6-10)14(17)11-7-3-4-8-12(11)18-13/h3-4,7-8,10H,1-2,5-6,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421759 (CHEMBL4176078) Show SMILES [Cl-].Fc1ccccc1C[n+]1cccc(Cn2c3CCCCc3c3ccccc23)c1 Show InChI InChI=1S/C10H15NO2S/c1-7-10(13)11(6-9(12)14-7)8-4-2-3-5-8/h7-8H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421970 (CHEMBL4167804) Show SMILES [Cl-].Fc1ccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)cc1 Show InChI InChI=1S/C24H41N9O8S2/c1-12(34)9-29-14-11-42-43-24(2,3)18(19(25)38)32-20(39)13(8-17(36)37)31-16(35)10-30-21(40)15(33(4)22(14)41)6-5-7-28-23(26)27/h13-15,18,29H,5-11H2,1-4H3,(H2,25,38)(H,30,40)(H,31,35)(H,32,39)(H,36,37)(H4,26,27,28)/t13-,14-,15-,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421880 (CHEMBL4168234) Show SMILES [Cl-].Fc1cccc(C[n+]2cccc(Cn3c4CCCCc4c4ccccc34)c2)c1 Show InChI InChI=1S/C51H68N10O14S/c1-5-6-16-36(57-47(68)39(61-50(71)75-51(2,3)4)25-31-19-21-33(22-20-31)76(72,73)74)45(66)55-29-42(62)56-40(26-32-28-54-35-17-11-10-15-34(32)35)48(69)58-37(18-12-23-52)46(67)60-41(27-43(63)64)49(70)59-38(44(53)65)24-30-13-8-7-9-14-30/h7-11,13-15,17,19-22,28,36-41,54H,5-6,12,16,18,23-27,29,52H2,1-4H3,(H2,53,65)(H,55,66)(H,56,62)(H,57,68)(H,58,69)(H,59,70)(H,60,67)(H,61,71)(H,63,64)(H,72,73,74)/t36-,37-,38-,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464034 (CHEMBL4251230) Show SMILES [Br-].C(c1cc[n+](Cc2ccccc2)cc1)n1c2ccccc2c2ccccc12 Show InChI InChI=1S/C25H21N2/c1-2-8-20(9-3-1)18-26-16-14-21(15-17-26)19-27-24-12-6-4-10-22(24)23-11-5-7-13-25(23)27/h1-17H,18-19H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464033 (CHEMBL4250760) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1 Show InChI InChI=1S/C25H20ClN2/c26-23-10-4-1-7-20(23)18-27-15-13-19(14-16-27)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421753 (CHEMBL4175629) Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(Cn2c3CCCCc3c3ccccc23)cc1 Show InChI InChI=1S/C14H15NO2S/c1-9-8-18-14(17)12-6-10-4-2-3-5-11(10)7-15(12)13(9)16/h2-5,9,12H,6-8H2,1H3/t9-,12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464018 (CHEMBL4239674) Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(Cn2c3ccccc3c3ccccc23)cc1 Show InChI InChI=1S/C25H20FN2/c26-23-10-4-1-7-20(23)18-27-15-13-19(14-16-27)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421745 (CHEMBL4165332) Show SMILES [Cl-].Cc1ccc(C[n+]2ccc(Cn3c4CCCCc4c4ccccc34)cc2)cc1 Show InChI InChI=1S/C14H14ClNO2S/c15-11-7-3-6-10-13(11)19-12(17)8-16(14(10)18)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464020 (CHEMBL4243151) Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C26H23N2/c1-20-7-6-8-22(17-20)18-27-15-13-21(14-16-27)19-28-25-11-4-2-9-23(25)24-10-3-5-12-26(24)28/h2-17H,18-19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421746 (CHEMBL4175199) Show SMILES [Cl-].Fc1ccc(C[n+]2ccc(Cn3c4CCCCc4c4ccccc34)cc2)cc1 Show InChI InChI=1S/C14H15NO2S/c1-9-12(16)15-8-11-6-4-3-5-10(11)7-14(15,2)13(17)18-9/h3-6,9H,7-8H2,1-2H3/t9-,14+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464036 (CHEMBL4240265) Show SMILES [Br-].Fc1cccc(C[n+]2cccc(Cn3c4ccccc4c4ccccc34)c2)c1 Show InChI InChI=1S/C25H20FN2/c26-21-9-5-7-19(15-21)16-27-14-6-8-20(17-27)18-28-24-12-3-1-10-22(24)23-11-2-4-13-25(23)28/h1-15,17H,16,18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50422393 (CHEMBL4170878) Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(CN2C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C36H60N4/c1-39-27-13-7-3-4-8-14-28-40(2)30-16-10-6-12-26-38-32-34-19-23-36(24-20-34)35-21-17-33(18-22-35)31-37-25-11-5-9-15-29-39/h17-24,37-38H,3-16,25-32H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by Ellman'...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464032 (CHEMBL4247394) Show SMILES [Cl-].Cc1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)cc1 Show InChI InChI=1S/C26H23N2/c1-20-10-12-21(13-11-20)18-27-16-14-22(15-17-27)19-28-25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,18-19H2,1H3/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464024 (CHEMBL4246944) Show SMILES [Cl-].Fc1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)cc1 Show InChI InChI=1S/C25H20FN2/c26-21-11-9-19(10-12-21)17-27-15-13-20(14-16-27)18-28-24-7-3-1-5-22(24)23-6-2-4-8-25(23)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50421754 (CHEMBL4172701) Show SMILES [Br-].Fc1cccc(C[n+]2ccc(Cn3c4CCCCc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C8H11NO2S/c1-5-7(10)9-4-2-3-6(9)8(11)12-5/h5-6H,2-4H2,1H3/t5?,6-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 m...				Eur J Med Chem 155: 49-60 (2018) Article DOI: 10.1016/j.ejmech.2018.05.031 BindingDB Entry DOI: 10.7270/Q2765HWM
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464035 (CHEMBL4249779) Show SMILES [Cl-].Fc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1 Show InChI InChI=1S/C25H20FN2/c26-21-7-5-6-20(16-21)17-27-14-12-19(13-15-27)18-28-24-10-3-1-8-22(24)23-9-2-4-11-25(23)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50464023 (CHEMBL4239383) Show SMILES [Cl-].Clc1ccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)cc1 Show InChI InChI=1S/C25H20ClN2/c26-21-11-9-19(10-12-21)17-27-15-13-20(14-16-27)18-28-24-7-3-1-5-22(24)23-6-2-4-8-25(23)28/h1-16H,17-18H2/q+1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 ...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition measured for 5 mi...				Bioorg Med Chem 26: 4952-4962 (2018) Article DOI: 10.1016/j.bmc.2018.08.035 BindingDB Entry DOI: 10.7270/Q2NS0XJS
					More data for this Ligand-Target Pair

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