Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'alinezhad' and Initial = 'h'   

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
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
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131762 (CHEMBL3633865) Show SMILES [Br-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccccc2Br)c1 Show InChI InChI=1S/C24H19BrNO3.BrH/c1-28-22-10-4-8-18-14-23(29-24(18)22)21(27)12-11-17-6-5-13-26(15-17)16-19-7-2-3-9-20(19)25;/h2-15H,16H2,1H3;1H/q+1;/p-1/b12-11+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131771 (CHEMBL3633525) Show SMILES [Br-].Brc1ccccc1C[n+]1cccc(\C=C\C(=O)c2cc3ccccc3o2)c1 Show InChI InChI=1S/C23H17BrNO2.BrH/c24-20-9-3-1-8-19(20)16-25-13-5-6-17(15-25)11-12-21(26)23-14-18-7-2-4-10-22(18)27-23;/h1-15H,16H2;1H/q+1;/p-1/b12-11+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131718 (CHEMBL3633870) Show SMILES [Br-].Brc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C23H17BrNO2.BrH/c24-20-7-3-1-6-19(20)16-25-13-11-17(12-14-25)9-10-21(26)23-15-18-5-2-4-8-22(18)27-23;/h1-15H,16H2;1H/q+1;/p-1/b10-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131772 (CHEMBL3633524) Show SMILES [Br-].O=C(\C=C\c1ccc[n+](Cc2ccccc2)c1)c1cc2ccccc2o1 Show InChI InChI=1S/C23H18NO2.BrH/c25-21(23-15-20-10-4-5-11-22(20)26-23)13-12-19-9-6-14-24(17-19)16-18-7-2-1-3-8-18;/h1-15,17H,16H2;1H/q+1;/p-1/b13-12+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131758 (CHEMBL3633869) Show SMILES [Br-].O=C(\C=C\c1cc[n+](Cc2ccccc2)cc1)c1cc2ccccc2o1 Show InChI InChI=1S/C23H18NO2.BrH/c25-21(23-16-20-8-4-5-9-22(20)26-23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19;/h1-16H,17H2;1H/q+1;/p-1/b11-10+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131770 (CHEMBL3633857) Show SMILES [Br-].Brc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4ccccc4o3)c2)cc1 Show InChI InChI=1S/C23H17BrNO2.BrH/c24-20-10-7-18(8-11-20)16-25-13-3-4-17(15-25)9-12-21(26)23-14-19-5-1-2-6-22(19)27-23;/h1-15H,16H2;1H/q+1;/p-1/b12-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131764 (CHEMBL3633863) Show SMILES [Cl-].Clc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1Cl Show InChI InChI=1S/C23H15BrCl2NO2.ClH/c24-18-5-8-22-17(11-18)12-23(29-22)21(28)7-4-15-2-1-9-27(13-15)14-16-3-6-19(25)20(26)10-16;/h1-13H,14H2;1H/q+1;/p-1/b7-4+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	786	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131759 (CHEMBL3633868) Show SMILES [Cl-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2cccc(Cl)c2Cl)c1 Show InChI InChI=1S/C24H18Cl2NO3.ClH/c1-29-21-9-3-6-17-13-22(30-24(17)21)20(28)11-10-16-5-4-12-27(14-16)15-18-7-2-8-19(25)23(18)26;/h2-14H,15H2,1H3;1H/q+1;/p-1/b11-10+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	985	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131767 (CHEMBL3633860) Show SMILES [Br-].Brc1ccc2oc(cc2c1)C(=O)\C=C\c1ccc[n+](Cc2ccccc2Br)c1 Show InChI InChI=1S/C23H16Br2NO2.BrH/c24-19-8-10-22-18(12-19)13-23(28-22)21(27)9-7-16-4-3-11-26(14-16)15-17-5-1-2-6-20(17)25;/h1-14H,15H2;1H/q+1;/p-1/b9-7+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131765 (CHEMBL3633862) Show SMILES [Cl-].Clc1cccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)c1Cl Show InChI InChI=1S/C23H15BrCl2NO2.ClH/c24-18-7-9-21-17(11-18)12-22(29-21)20(28)8-6-15-3-2-10-27(13-15)14-16-4-1-5-19(25)23(16)26;/h1-13H,14H2;1H/q+1;/p-1/b8-6+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131717 (CHEMBL3633871) Show SMILES [Cl-].Clc1cccc(C[n+]2ccc(\C=C\C(=O)c3cc4ccccc4o3)cc2)c1Cl Show InChI InChI=1S/C23H16Cl2NO2.ClH/c24-19-6-3-5-18(23(19)25)15-26-12-10-16(11-13-26)8-9-20(27)22-14-17-4-1-2-7-21(17)28-22;/h1-14H,15H2;1H/q+1;/p-1/b9-8+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131763 (CHEMBL3633864) Show SMILES [Br-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccccc2)c1 Show InChI InChI=1S/C24H20NO3.BrH/c1-27-22-11-5-10-20-15-23(28-24(20)22)21(26)13-12-19-9-6-14-25(17-19)16-18-7-3-2-4-8-18;/h2-15,17H,16H2,1H3;1H/q+1;/p-1/b13-12+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131768 (CHEMBL3633859) Show SMILES [Br-].Brc1ccc2oc(cc2c1)C(=O)\C=C\c1ccc[n+](Cc2ccccc2)c1 Show InChI InChI=1S/C23H17BrNO2.BrH/c24-20-9-11-22-19(13-20)14-23(27-22)21(26)10-8-18-7-4-12-25(16-18)15-17-5-2-1-3-6-17;/h1-14,16H,15H2;1H/q+1;/p-1/b10-8+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131715 (CHEMBL3633872) Show SMILES [Br-].Brc1ccc2oc(cc2c1)C(=O)\C=C\c1cc[n+](Cc2ccccc2)cc1 Show InChI InChI=1S/C23H17BrNO2.BrH/c24-20-7-9-22-19(14-20)15-23(27-22)21(26)8-6-17-10-12-25(13-11-17)16-18-4-2-1-3-5-18;/h1-15H,16H2;1H/q+1;/p-1/b8-6+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072951 (CHEMBL3410478) Show SMILES COc1ccc2n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H19ClN4O2/c1-31-19-10-11-23-21(12-19)24(30)20-4-2-3-5-22(20)29(23)15-18-14-28(27-26-18)13-16-6-8-17(25)9-7-16/h2-12,14H,13,15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.31E+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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131761 (CHEMBL3633866) Show SMILES [Br-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccc(Br)cc2)c1 Show InChI InChI=1S/C24H19BrNO3.BrH/c1-28-22-6-2-5-19-14-23(29-24(19)22)21(27)12-9-17-4-3-13-26(15-17)16-18-7-10-20(25)11-8-18;/h2-15H,16H2,1H3;1H/q+1;/p-1/b12-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072947 (CHEMBL3410483) Show SMILES Cc1ccc2n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H19ClN4O/c1-16-6-11-23-21(12-16)24(30)20-4-2-3-5-22(20)29(23)15-19-14-28(27-26-19)13-17-7-9-18(25)10-8-17/h2-12,14H,13,15H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.11E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131760 (CHEMBL3633867) Show SMILES [Cl-].COc1cccc2cc(oc12)C(=O)\C=C\c1ccc[n+](Cc2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H19ClNO3.ClH/c1-28-22-6-2-5-19-14-23(29-24(19)22)21(27)12-9-17-4-3-13-26(15-17)16-18-7-10-20(25)11-8-18;/h2-15H,16H2,1H3;1H/q+1;/p-1/b12-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072954 (CHEMBL3410475) Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)cc1 Show InChI InChI=1S/C23H16Cl2N4O/c24-16-7-5-15(6-8-16)12-28-13-18(26-27-28)14-29-21-4-2-1-3-19(21)23(30)20-11-17(25)9-10-22(20)29/h1-11,13H,12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072952 (CHEMBL3410477) Show SMILES COc1ccc2n(Cc3cn(Cc4ccccc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H20N4O2/c1-30-19-11-12-23-21(13-19)24(29)20-9-5-6-10-22(20)28(23)16-18-15-27(26-25-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072946 (CHEMBL3410485) Show SMILES Fc1cccc2c1n(Cc1cn(Cc3ccc(Cl)cc3)nn1)c1ccccc1c2=O Show InChI InChI=1S/C23H16ClFN4O/c24-16-10-8-15(9-11-16)12-28-13-17(26-27-28)14-29-21-7-2-1-4-18(21)23(30)19-5-3-6-20(25)22(19)29/h1-11,13H,12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131769 (CHEMBL3633858) Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4ccccc4o3)c2)cc1 Show InChI InChI=1S/C23H17N2O4.BrH/c26-21(23-14-19-5-1-2-6-22(19)29-23)12-9-17-4-3-13-24(15-17)16-18-7-10-20(11-8-18)25(27)28;/h1-15H,16H2;1H/q+1;/p-1/b12-9+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50131766 (CHEMBL3633861) Show SMILES [Br-].Brc1ccc(C[n+]2cccc(\C=C\C(=O)c3cc4cc(Br)ccc4o3)c2)cc1 Show InChI InChI=1S/C23H16Br2NO2.BrH/c24-19-6-3-17(4-7-19)15-26-11-1-2-16(14-26)5-9-21(27)23-13-18-12-20(25)8-10-22(18)28-23;/h1-14H,15H2;1H/q+1;/p-1/b9-5+;	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alzahra University Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE (type VI-S) using acetylthiocholine iodide as substrate assessed as 5-thio-2-nitrobenzoate anion formation pre...				Eur J Med Chem 103: 361-9 (2015) Article DOI: 10.1016/j.ejmech.2015.08.061 BindingDB Entry DOI: 10.7270/Q2XK8HC1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072953 (CHEMBL3410476) Show SMILES [O-][N+](=O)c1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)cc1 Show InChI InChI=1S/C23H16ClN5O3/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)28(22)14-17-13-27(26-25-17)12-15-5-8-18(9-6-15)29(31)32/h1-11,13H,12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.83E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072949 (CHEMBL3410480) Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)cc1 Show InChI InChI=1S/C23H16BrClN4O/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)29(22)14-18-13-28(27-26-18)12-15-5-8-17(25)9-6-15/h1-11,13H,12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072948 (CHEMBL3410481) Show SMILES [O-][N+](=O)c1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)cc1 Show InChI InChI=1S/C23H16BrN5O3/c24-16-7-10-22-20(11-16)23(30)19-3-1-2-4-21(19)28(22)14-17-13-27(26-25-17)12-15-5-8-18(9-6-15)29(31)32/h1-11,13H,12,14H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.28E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072956 (CHEMBL3410473) Show SMILES Clc1ccc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)cc1 Show InChI InChI=1S/C23H17ClN4O/c24-17-11-9-16(10-12-17)13-27-14-18(25-26-27)15-28-21-7-3-1-5-19(21)23(29)20-6-2-4-8-22(20)28/h1-12,14H,13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.97E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072950 (CHEMBL3410479) Show SMILES Brc1ccc2n(Cc3cn(Cc4ccccc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H17BrN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.81E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50072947 (CHEMBL3410483) Show SMILES Cc1ccc2n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C24H19ClN4O/c1-16-6-11-23-21(12-16)24(30)20-4-2-3-5-22(20)29(23)15-19-14-28(27-26-19)13-17-7-9-18(25)10-8-17/h2-12,14H,13,15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.72E+4	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 butylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50072955 (CHEMBL3410474) Show SMILES Clc1ccc2n(Cc3cn(Cc4ccccc4)nn3)c3ccccc3c(=O)c2c1 Show InChI InChI=1S/C23H17ClN4O/c24-17-10-11-22-20(12-17)23(29)19-8-4-5-9-21(19)28(22)15-18-14-27(26-25-18)13-16-6-2-1-3-7-16/h1-12,14H,13,15H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.81E+4	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 acetylcholinesterase using acetylthiocholine iodide as substrate after 15 mins by Ellman's method				Eur J Med Chem 92: 799-806 (2015) Article DOI: 10.1016/j.ejmech.2015.01.044 BindingDB Entry DOI: 10.7270/Q2XD13CP
					More data for this Ligand-Target Pair