Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'shaheen' and Initial = 'f'   

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))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	857	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of horse BChE				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242323 (CHEMBL4070917) Show SMILES [H][C@]12[C@@H](O)[C@@]3([H])[C@]4(C1N(CC)C[C@]3(C)CC[C@@H]4OC)[C@]1([H])C[C@@]3([H])CC[C@@]2(O)[C@@]1([H])C(=O)O3 |r,TLB:8:7:4.2:26.28.19,1:7:4:15.16.14,19:6:12.11.8:1.2,THB:16:6:12.11.8:1.2,30:28:6.7.1:21.22.24.25,31:30:19.21:26.24.25,9:8:4:15.16.14| Show InChI InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242315 (CHEMBL4093688) Show SMILES [H][C@@]12CC34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC[C@H](O)[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,5:7:22.13:3,6:5:23.25:11.9,9:11:23:27.2.1,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:20:22:16.15:1,20:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,14:13:23:27.2.1,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H27NO3/c1-8-5-19-6-9-15-18(2)4-3-10(22)20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(9)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12-,13-,14+,15+,16-,17?,18-,19?,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242317 (CHEMBL4085938) Show SMILES [H][C@]12CC[C@@]3(CC[C@]4([H])[C@]5(C)CCC[C@]4(CN4CCOC54)[C@]3([H])C1)[C@]([H])(O)C2=C |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19?,20-,21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242322 (CHEMBL4066113) Show SMILES [H][C@@]12[C@H](OC)[C@]3(C)C4N(CC)C[C@]1(C)CC[C@H](OC)[C@@]24[C@]1([H])C[C@@]2([H])CC[C@@]3(O)C1(O)C(=O)O2 |r,TLB:20:19:12.11.8:5.2,8:7:1.2:27.29.20,5:7:1:15.16.14,THB:16:19:12.11.8:5.2,31:29:19.7.5:22.23.25.26,32:31:20.22:27.25.26,30:29:19.7.5:22.23.25.26,9:8:1:15.16.14| Show InChI InChI=1S/C24H37NO6/c1-6-25-12-20(2)9-8-15(29-4)23-14-11-13-7-10-22(27,24(14,28)19(26)31-13)21(3,18(23)25)17(30-5)16(20)23/h13-18,27-28H,6-12H2,1-5H3/t13-,14-,15-,16+,17-,18?,20-,21+,22-,23-,24?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242315 (CHEMBL4093688) Show SMILES [H][C@@]12CC34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC[C@H](O)[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,5:7:22.13:3,6:5:23.25:11.9,9:11:23:27.2.1,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:20:22:16.15:1,20:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,14:13:23:27.2.1,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H27NO3/c1-8-5-19-6-9-15-18(2)4-3-10(22)20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(9)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12-,13-,14+,15+,16-,17?,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242345 (CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...) Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r,t:5| Show InChI InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of horse BChE				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242318 (CHEMBL4098012) Show SMILES [H][C@]12C[C@@]34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC(=O)C[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,25:23:13.11:27.2.1,5:7:22.13:3,6:5:23.25:11.9,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:21:22:16.15:1,21:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3/t10-,11+,12+,13+,14-,15-,16+,17?,18+,19+,20+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242324 (CHEMBL4072441) Show SMILES [H][C@]12OCCN1C[C@]13CCC[C@@]2(C)[C@@]1([H])CC[C@@]12CC[C@@]([H])(C[C@@]31[H])C(=C)[C@@]2([H])O |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19+,20-,21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242323 (CHEMBL4070917) Show SMILES [H][C@]12[C@@H](O)[C@@]3([H])[C@]4(C1N(CC)C[C@]3(C)CC[C@@H]4OC)[C@]1([H])C[C@@]3([H])CC[C@@]2(O)[C@@]1([H])C(=O)O3 |r,TLB:8:7:4.2:26.28.19,1:7:4:15.16.14,19:6:12.11.8:1.2,THB:16:6:12.11.8:1.2,30:28:6.7.1:21.22.24.25,31:30:19.21:26.24.25,9:8:4:15.16.14| Show InChI InChI=1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12+,13-,14+,15-,16+,17+,18?,20-,21+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242316 (CHEMBL4103864) Show SMILES [H][C@]12C[C@@]3([H])C[C@]4([H])[C@@]56CCC[C@@]7(C)CN(C15)[C@](O)(CC24[C@H](O)C3=C)[C@@]67[H] |r,TLB:9:8:12.14:17,9:8:20:5.3.2,11:12:8.16:17,16:1:6.5:23.21,1:16:25:20.6.19,21:20:8.16:5.3.2,24:23:6.5:1.2,2:1:6:25.19.17,18:17:12.14:8.16,THB:8:6:23.21:1.2,25:8:20:5.3.2,13:12:8.16:17,14:15:25:20.6.19,15:16:6:25.19.17,15:16:20:5.3.2,1:16:12.14:17,6:8:12.14:17,23:3:8.16:20,19:17:12.14:8.16,19:20:8.16:5.3.2,22:21:6.5:1.2| Show InChI InChI=1S/C20H27NO2/c1-10-11-6-12-14-18-5-3-4-17(2)9-21(14)20(23,16(17)18)8-19(12,15(10)22)13(18)7-11/h11-16,22-23H,1,3-9H2,2H3/t11-,12-,13+,14?,15+,16+,17-,18-,19?,20-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242317 (CHEMBL4085938) Show SMILES [H][C@]12CC[C@@]3(CC[C@]4([H])[C@]5(C)CCC[C@]4(CN4CCOC54)[C@]3([H])C1)[C@]([H])(O)C2=C |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19?,20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Concentration required to displace 50% of [3H]oxytocin from rat uterine receptor.				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242320 (CHEMBL4065019) Show SMILES [H][C@@]1(O)C(=C)[C@@]2([H])CC[C@@]11C(=O)C[C@]3([H])[C@@]4(C)CCC[C@@]3(CN(CCO)C4)[C@]1([H])C2 |r,TLB:23:22:13:17.18.19| Show InChI InChI=1S/C22H33NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-17,19,24,26H,1,3-13H2,2H3/t15-,16+,17-,19+,20-,21-,22+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 15 mins followed by substrate addition by spectrophotome...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242324 (CHEMBL4072441) Show SMILES [H][C@]12OCCN1C[C@]13CCC[C@@]2(C)[C@@]1([H])CC[C@@]12CC[C@@]([H])(C[C@@]31[H])C(=C)[C@@]2([H])O |r| Show InChI InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)13-23-10-11-25-19(20)23/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19+,20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242318 (CHEMBL4098012) Show SMILES [H][C@]12C[C@@]34CC(=C)[C@@]5([H])[C@H](O)[C@@]3([H])C3N1C[C@]1(C)CC(=O)C[C@@]3([C@@]4([H])[C@@H]5O)[C@]21[H] |r,TLB:22:23:5.4:11.9,27:22:3:25.7.9,17:16:22.13:1,14:13:3:25.7.9,11:13:16.15:1,11:13:27:3.23.2,23:22:16.15:1,25:23:13.11:27.2.1,5:7:22.13:3,6:5:23.25:11.9,10:9:23.25:5.4,2:3:22.13:25.7.9,THB:21:22:16.15:1,21:22:3:25.7.9,18:16:22.13:1,15:14:27:3.23.2,13:11:23.25:5.4,4:3:22.13:25.7.9,10:9:22.13:3,26:25:22.13:3,26:25:5.4:11.9,2:1:16.15:22.13| Show InChI InChI=1S/C20H25NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h10-17,23-24H,1,3-7H2,2H3/t10-,11+,12+,13+,14-,15-,16+,17?,18+,19+,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242316 (CHEMBL4103864) Show SMILES [H][C@]12C[C@@]3([H])C[C@]4([H])[C@@]56CCC[C@@]7(C)CN(C15)[C@](O)(CC24[C@H](O)C3=C)[C@@]67[H] |r,TLB:9:8:12.14:17,9:8:20:5.3.2,11:12:8.16:17,16:1:6.5:23.21,1:16:25:20.6.19,21:20:8.16:5.3.2,24:23:6.5:1.2,2:1:6:25.19.17,18:17:12.14:8.16,THB:8:6:23.21:1.2,25:8:20:5.3.2,13:12:8.16:17,14:15:25:20.6.19,15:16:6:25.19.17,15:16:20:5.3.2,1:16:12.14:17,6:8:12.14:17,23:3:8.16:20,19:17:12.14:8.16,19:20:8.16:5.3.2,22:21:6.5:1.2| Show InChI InChI=1S/C20H27NO2/c1-10-11-6-12-14-18-5-3-4-17(2)9-21(14)20(23,16(17)18)8-19(12,15(10)22)13(18)7-11/h11-16,22-23H,1,3-9H2,2H3/t11-,12-,13+,14?,15+,16+,17-,18-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242320 (CHEMBL4065019) Show SMILES [H][C@@]1(O)C(=C)[C@@]2([H])CC[C@@]11C(=O)C[C@]3([H])[C@@]4(C)CCC[C@@]3(CN(CCO)C4)[C@]1([H])C2 |r,TLB:23:22:13:17.18.19| Show InChI InChI=1S/C22H33NO3/c1-14-15-4-7-22(19(14)26)17(10-15)21-6-3-5-20(2,16(21)11-18(22)25)12-23(13-21)8-9-24/h15-17,19,24,26H,1,3-13H2,2H3/t15-,16+,17-,19+,20-,21-,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malakand Curated by ChEMBL					Assay Description Inhibition of horse serum BChE using butyrylcholine chloride as substrate preincubated for 15 mins followed by substrate addition by spectrophotometr...				Bioorg Med Chem 25: 3368-3376 (2017) Article DOI: 10.1016/j.bmc.2017.04.022 BindingDB Entry DOI: 10.7270/Q2K64MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50242346 (CHEMBL500603 | [(20S)-20-(N-methylamino)-3beta-(ti...) Show SMILES CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C(\C)=C\C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |r,t:4| Show InChI InChI=1S/C31H48N2O5/c1-9-17(2)29(36)33-27-26(37-19(4)34)16-31(7)24-14-15-30(6)22(18(3)32-8)12-13-23(30)21(24)10-11-25(31)28(27)38-20(5)35/h9,12,18,21,23-28,32H,10-11,13-16H2,1-8H3,(H,33,36)/b17-9+/t18-,21-,23-,24-,25-,26-,27-,28+,30+,31+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of horse BChE				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242345 (CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...) Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r,t:5| Show InChI InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23-,24-,25-,26-,28+,29+,30+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50242346 (CHEMBL500603 | [(20S)-20-(N-methylamino)-3beta-(ti...) Show SMILES CN[C@@H](C)C1=CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)C(\C)=C\C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |r,t:4| Show InChI InChI=1S/C31H48N2O5/c1-9-17(2)29(36)33-27-26(37-19(4)34)16-31(7)24-14-15-30(6)22(18(3)32-8)12-13-23(30)21(24)10-11-25(31)28(27)38-20(5)35/h9,12,18,21,23-28,32H,10-11,13-16H2,1-8H3,(H,33,36)/b17-9+/t18-,21-,23-,24-,25-,26-,27-,28+,30+,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair