Compile Data Set for Download or QSAR

Found 717 hits with Last Name = 'shafiee' and Initial = 'a'   

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 (Electrophorus electricus (Electric eel))	BDBM50052204 (CHEMBL3318392) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Mixed type inhibition of electric eel AChE using acetylthiocholine iodide substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
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	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50440441 (CHEMBL2425846) Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31 Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	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 electric eel AChE using acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Eur J Med Chem 68: 291-300 (2013) Article DOI: 10.1016/j.ejmech.2013.07.045 BindingDB Entry DOI: 10.7270/Q2794637
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50080392 (CHEMBL3416513) Show SMILES Cl.CCOc1ccc2C(=O)\C(COc2c1)=C\c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H29NO4.ClH/c1-2-28-22-10-11-23-24(17-22)30-18-20(25(23)27)16-19-6-8-21(9-7-19)29-15-14-26-12-4-3-5-13-26;/h6-11,16-17H,2-5,12-15,18H2,1H3;1H/b20-16+;	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medicinal Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE pre-incubated for 3 mins before acetylthiocholine substrate addition by Lineweaver-Burk plot				Eur J Med Chem 97: 181-9 (2015) Article DOI: 10.1016/j.ejmech.2015.04.055 BindingDB Entry DOI: 10.7270/Q2P84DM4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50038390 (CHEMBL3352904) Show SMILES COc1ccc(cc1OC)C1c2c(C)[nH]nc2Oc2nc3CCCCc3c(N)c12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	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 Inhibition of electric eel AChE by Lineweaver-Burk plot				Eur J Med Chem 89: 296-303 (2014) Article DOI: 10.1016/j.ejmech.2014.10.049 BindingDB Entry DOI: 10.7270/Q2T72K1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204859 (CHEMBL3939483) Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	490	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 electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured f...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50197934 (CHEMBL3889532) Show SMILES Fc1ccc(COc2ccc3cc(C(=O)NCCc4c[nH]c5ccccc45)c(=O)oc3c2)cc1 Show InChI InChI=1S/C27H21FN2O4/c28-20-8-5-17(6-9-20)16-33-21-10-7-18-13-23(27(32)34-25(18)14-21)26(31)29-12-11-19-15-30-24-4-2-1-3-22(19)24/h1-10,13-15,30H,11-12,16H2,(H,29,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured for 2 mins by Lineweaver-Burk plot analysis				Eur J Med Chem 121: 40-46 (2016) Article DOI: 10.1016/j.ejmech.2016.05.014 BindingDB Entry DOI: 10.7270/Q2XS5XBG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50020730 (CHEMBL1469070) Show SMILES O=C(COc1ccc2ccc(=O)oc2c1)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H24N2O4/c26-22(16-28-20-8-6-18-7-9-23(27)29-21(18)14-20)24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15-16H2,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+3	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 Inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweavere-Burk plot				Eur J Med Chem 82: 536-44 (2014) Article DOI: 10.1016/j.ejmech.2014.05.056 BindingDB Entry DOI: 10.7270/Q27D2WQV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50235322 (CHEMBL4066593) Show SMILES Clc1ccc2c(NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C34H41ClN4/c35-24-19-20-28-32(23-24)39-31-18-10-7-15-27(31)34(28)37-22-12-4-2-1-3-11-21-36-33-25-13-5-8-16-29(25)38-30-17-9-6-14-26(30)33/h5,8,13,16,19-20,23H,1-4,6-7,9-12,14-15,17-18,21-22H2,(H,36,38)(H,37,39)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50402577 (CHEMBL2206129) Show SMILES Fc1ccccc1C[n+]1ccc(\C=C\C(=O)c2cc3cc(Br)ccc3oc2=O)cc1 Show InChI InChI=1S/C24H16BrFNO3/c25-19-6-8-23-18(13-19)14-20(24(29)30-23)22(28)7-5-16-9-11-27(12-10-16)15-17-3-1-2-4-21(17)26/h1-14H,15H2/q+1/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
University College of Science Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 20: 7214-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.052 BindingDB Entry DOI: 10.7270/Q2SQ91J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50402583 (CHEMBL2206123) Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4C)cc3)c(=O)oc12 Show InChI InChI=1S/C26H22NO4/c1-18-6-3-4-7-21(18)17-27-14-12-19(13-15-27)10-11-23(28)22-16-20-8-5-9-24(30-2)25(20)31-26(22)29/h3-16H,17H2,1-2H3/q+1/b11-10+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
University College of Science Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 20: 7214-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.052 BindingDB Entry DOI: 10.7270/Q2SQ91J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity was determined against bovine liver beta galactosidase				Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50235323 (CHEMBL4080023) Show SMILES C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2CCCCc12 Show InChI InChI=1S/C34H46N4/c1(3-13-23-35-33-25-15-5-9-19-29(25)37-30-20-10-6-16-26(30)33)2-4-14-24-36-34-27-17-7-11-21-31(27)38-32-22-12-8-18-28(32)34/h5,9,15,19H,1-4,6-8,10-14,16-18,20-24H2,(H,35,37)(H,36,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443517 (CHEMBL3087899) Show SMILES [O-][N+](=O)c1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25N3O5/c28-23(21-15-19-14-20(27(30)31)6-7-22(19)32-24(21)29)25-11-8-17-9-12-26(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50235324 (CHEMBL4104258) Show SMILES Clc1ccc2c(NCCCCCCCCCNc3c4CCCCc4nc4CCCCc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C35H47ClN4/c36-25-20-21-29-33(24-25)40-32-19-11-8-16-28(32)35(29)38-23-13-5-3-1-2-4-12-22-37-34-26-14-6-9-17-30(26)39-31-18-10-7-15-27(31)34/h20-21,24H,1-19,22-23H2,(H,37,39)(H,38,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of rat cortex AchE using acetylthiocholine iodide as substrate by Ellman's method				Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052204 (CHEMBL3318392) Show SMILES [Cl-].Clc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15ClN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50402576 (CHEMBL2206130) Show SMILES Fc1ccc(C[n+]2ccc(\C=C\C(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1 Show InChI InChI=1S/C24H16BrFNO3/c25-19-4-8-23-18(13-19)14-21(24(29)30-23)22(28)7-3-16-9-11-27(12-10-16)15-17-1-5-20(26)6-2-17/h1-14H,15H2/q+1/b7-3+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
University College of Science Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 20: 7214-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.052 BindingDB Entry DOI: 10.7270/Q2SQ91J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50402587 (CHEMBL2206119) Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4ccccc4Cl)cc3)c(=O)oc12 Show InChI InChI=1S/C25H19ClNO4/c1-30-23-8-4-6-18-15-20(25(29)31-24(18)23)22(28)10-9-17-11-13-27(14-12-17)16-19-5-2-3-7-21(19)26/h2-15H,16H2,1H3/q+1/b10-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
University College of Science Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 20: 7214-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.052 BindingDB Entry DOI: 10.7270/Q2SQ91J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50402590 (CHEMBL2205576) Show SMILES COc1cccc2cc(C(=O)\C=C\c3cc[n+](Cc4cccc(F)c4)cc3)c(=O)oc12 Show InChI InChI=1S/C25H19FNO4/c1-30-23-7-3-5-19-15-21(25(29)31-24(19)23)22(28)9-8-17-10-12-27(13-11-17)16-18-4-2-6-20(26)14-18/h2-15H,16H2,1H3/q+1/b9-8+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
University College of Science Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method				Bioorg Med Chem 20: 7214-22 (2012) Article DOI: 10.1016/j.bmc.2012.08.052 BindingDB Entry DOI: 10.7270/Q2SQ91J0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM9006 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of bovine erythrocyte AchE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 128: 332-345 (2017) Article DOI: 10.1016/j.ejmech.2016.10.060 BindingDB Entry DOI: 10.7270/Q2HM5BQX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052206 (CHEMBL3318391) Show SMILES [Cl-].Fc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15FN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052208 (CHEMBL3318394) Show SMILES [Cl-].Brc1ccccc1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H15BrN2O/c22-19-7-3-1-5-16(19)14-24-11-9-15(10-12-24)13-18-17-6-2-4-8-20(17)23-21(18)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50189989 (4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443513 (CHEMBL3087903) Show SMILES COc1cccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc12 Show InChI InChI=1S/C25H28N2O4/c1-30-22-9-5-8-20-16-21(25(29)31-23(20)22)24(28)26-13-10-18-11-14-27(15-12-18)17-19-6-3-2-4-7-19/h2-9,16,18H,10-15,17H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443518 (CHEMBL3087898) Show SMILES Brc1ccc2oc(=O)c(cc2c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H25BrN2O3/c25-20-6-7-22-19(14-20)15-21(24(29)30-22)23(28)26-11-8-17-9-12-27(13-10-17)16-18-4-2-1-3-5-18/h1-7,14-15,17H,8-13,16H2,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX2				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 BACE1 (unknown origin) expressed in baculovirus expression system using Rh-EVNLDAEFK-Quencher as substrate after 90 mins by FRET assay				Bioorg Med Chem 21: 2396-412 (2013) Article DOI: 10.1016/j.bmc.2013.01.064 BindingDB Entry DOI: 10.7270/Q2BV7J12
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50189988 (CHEMBL214101 | Rofecoxib analogue) Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1 |c:4| Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073207 (CHEMBL3408398) Show SMILES [Br-].Cc1cc(C)cc(C[n+]2ccc(cc2)-c2cc3ccccc3o2)c1 Show InChI InChI=1S/C22H20NO.BrH/c1-16-11-17(2)13-18(12-16)15-23-9-7-19(8-10-23)22-14-20-5-3-4-6-21(20)24-22;/h3-14H,15H2,1-2H3;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Ovis aries (Sheep))	BDBM50189989 (4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1				Bioorg Med Chem Lett 16: 4483-7 (2006) Article DOI: 10.1016/j.bmcl.2006.06.032 BindingDB Entry DOI: 10.7270/Q2W095JB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052210 (CHEMBL3318398) Show SMILES [Cl-].Fc1cccc(Cl)c1C[n+]1ccc(\C=C2\C(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C21H14ClFN2O/c22-18-5-3-6-19(23)17(18)13-25-10-8-14(9-11-25)12-16-15-4-1-2-7-20(15)24-21(16)26/h1-12H,13H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052212 (CHEMBL3318400) Show SMILES [Br-].Clc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1 Show InChI InChI=1S/C21H15ClN2O/c22-17-5-3-4-16(12-17)14-24-10-8-15(9-11-24)13-19-18-6-1-2-7-20(18)23-21(19)25/h1-13H,14H2/p+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073217 (CHEMBL3408242) Show SMILES [Br-].[O-][N+](=O)c1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C20H15N2O3/c23-22(24)18-7-3-1-6-17(18)14-21-11-9-15(10-12-21)20-13-16-5-2-4-8-19(16)25-20/h1-13H,14H2/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50440441 (CHEMBL2425846) Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccc(F)cc4)c12)c(=O)oc1ccccc31 Show InChI InChI=1S/C25H19FN2O3/c26-14-11-9-13(10-12-14)19-20-22(27)15-5-1-3-7-17(15)28-24(20)31-23-16-6-2-4-8-18(16)30-25(29)21(19)23/h2,4,6,8-12,19H,1,3,5,7H2,(H2,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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 prior to substrate addition by Ellman's method				Eur J Med Chem 68: 291-300 (2013) Article DOI: 10.1016/j.ejmech.2013.07.045 BindingDB Entry DOI: 10.7270/Q2794637
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50443515 (CHEMBL3087901) Show SMILES COc1ccc2cc(C(=O)NCCC3CCN(Cc4ccccc4)CC3)c(=O)oc2c1 Show InChI InChI=1S/C25H28N2O4/c1-30-21-8-7-20-15-22(25(29)31-23(20)16-21)24(28)26-12-9-18-10-13-27(14-11-18)17-19-5-3-2-4-6-19/h2-8,15-16,18H,9-14,17H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Kerman University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylcholine as substrate preincubated for 15 mins prior to substrate addition by Ellman's method				Eur J Med Chem 70: 623-30 (2013) Article DOI: 10.1016/j.ejmech.2013.10.024 BindingDB Entry DOI: 10.7270/Q2GQ7070
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204847 (CHEMBL3895802) Show SMILES Nc1c2CCCCc2nc2Oc3c(C(c4ccccc4)c12)c(nn3-c1ccccc1)-c1ccco1 Show InChI InChI=1S/C29H24N4O2/c30-26-20-14-7-8-15-21(20)31-28-24(26)23(18-10-3-1-4-11-18)25-27(22-16-9-17-34-22)32-33(29(25)35-28)19-12-5-2-6-13-19/h1-6,9-13,16-17,23H,7-8,14-15H2,(H2,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052214 (CHEMBL3318402) Show SMILES [Cl-].Cc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1 Show InChI InChI=1S/C22H18N2O.ClH/c1-16-5-4-6-18(13-16)15-24-11-9-17(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073208 (CHEMBL3408397) Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc(cc2)-c2cc3ccccc3o2)cc1 Show InChI InChI=1S/C20H15N2O3.BrH/c23-22(24)18-7-5-15(6-8-18)14-21-11-9-16(10-12-21)20-13-17-3-1-2-4-19(17)25-20;/h1-13H,14H2;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204842 (CHEMBL3927698) Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)cc1 Show InChI InChI=1S/C23H26N4O2/c1-3-6-17-19-18(13-9-11-14(28-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)29-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50052215 (CHEMBL3318403) Show SMILES [Cl-].COc1cccc(C[n+]2ccc(\C=C3\C(=O)Nc4ccccc34)cc2)c1 Show InChI InChI=1S/C22H18N2O2.ClH/c1-26-18-6-4-5-17(13-18)15-24-11-9-16(10-12-24)14-20-19-7-2-3-8-21(19)23-22(20)25;/h2-14H,15H2,1H3;1H	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Yazd University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman method based spectrophotometry				Eur J Med Chem 84: 375-81 (2014) Article DOI: 10.1016/j.ejmech.2014.01.017 BindingDB Entry DOI: 10.7270/Q2H996T1
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073220 (CHEMBL3408241) Show SMILES [Br-].Cc1ccccc1C[n+]1ccc(cc1)-c1cc2ccccc2o1 Show InChI InChI=1S/C21H18NO/c1-16-6-2-3-8-19(16)15-22-12-10-17(11-13-22)21-14-18-7-4-5-9-20(18)23-21/h2-14H,15H2,1H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204851 (CHEMBL3947445) Show SMILES COc1ccc(cc1)C1c2c(Oc3cc4CCCCc4c(N)c13)[nH]nc2-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-31-19-13-11-16(12-14-19)22-23-21(15-18-9-5-6-10-20(18)25(23)28)32-27-24(22)26(29-30-27)17-7-3-2-4-8-17/h2-4,7-8,11-15,22H,5-6,9-10,28H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204859 (CHEMBL3939483) Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccc(F)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C26H22FN3O/c27-18-12-10-15(11-13-18)21-22-20(14-17-8-4-5-9-19(17)24(22)28)31-26-23(21)25(29-30-26)16-6-2-1-3-7-16/h1-3,6-7,10-14,21H,4-5,8-9,28H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204906 (CHEMBL3911514) Show SMILES Nc1c2CCCCc2cc2Oc3[nH]nc(c3C(c3ccccc3)c12)-c1ccccc1 Show InChI InChI=1S/C26H23N3O/c27-24-19-14-8-7-13-18(19)15-20-22(24)21(16-9-3-1-4-10-16)23-25(28-29-26(23)30-20)17-11-5-2-6-12-17/h1-6,9-12,15,21H,7-8,13-14,27H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50204852 (CHEMBL3982934) Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(SC)cc1 Show InChI InChI=1S/C23H26N4OS/c1-3-6-17-19-18(13-9-11-14(29-2)12-10-13)20-21(24)15-7-4-5-8-16(15)25-22(20)28-23(19)27-26-17/h9-12,18H,3-8H2,1-2H3,(H2,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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 recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073202 (CHEMBL3408403) Show SMILES [Br-].[O-][N+](=O)c1ccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)cc1 Show InChI InChI=1S/C20H14BrN2O3/c21-17-3-6-19-16(11-17)12-20(26-19)15-7-9-22(10-8-15)13-14-1-4-18(5-2-14)23(24)25/h1-12H,13H2/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50073204 (CHEMBL3408401) Show SMILES [Br-].Fc1ccc(C[n+]2ccc(cc2)-c2cc3cc(Br)ccc3o2)cc1 Show InChI InChI=1S/C20H14BrFNO.BrH/c21-17-3-6-19-16(11-17)12-20(24-19)15-7-9-23(10-8-15)13-14-1-4-18(22)5-2-14;/h1-12H,13H2;1H/q+1;/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine substrate by Ellman's reagent based method				Eur J Med Chem 93: 196-201 (2015) Article DOI: 10.1016/j.ejmech.2015.02.009 BindingDB Entry DOI: 10.7270/Q2CF9RTS
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM13065 (5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...) Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of COX1 in human blood assessed as PGE2 level incubated for 15 mins prior to LPS-challenge measured after 24 hrs by enzyme immunoassay				Bioorg Med Chem 21: 2355-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.058 BindingDB Entry DOI: 10.7270/Q2VT1TFS
					More data for this Ligand-Target Pair

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