Compile Data Set for Download or QSAR

Found 69 hits with Last Name = 'khalid' 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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	25	-44.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	190	-39.0	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	230	-38.5	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM86023 (Methyl isoplatydesmine, 4) Show SMILES COC(C)(C)[C@H]1Cc2c(O1)n(C)c1ccccc1c2=O |r| Show InChI InChI=1S/C16H19NO3/c1-16(2,19-4)13-9-11-14(18)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13H,9H2,1-4H3/t13-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90E+4	-27.4	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM86023 (Methyl isoplatydesmine, 4) Show SMILES COC(C)(C)[C@H]1Cc2c(O1)n(C)c1ccccc1c2=O |r| Show InChI InChI=1S/C16H19NO3/c1-16(2,19-4)13-9-11-14(18)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13H,9H2,1-4H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	-26.2	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM86022 (Ribalinine, 3) Show SMILES Cn1c2OC(C)(C)[C@H](O)Cc2c(=O)c2ccccc12 |r| Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.00E+4	-26.2	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (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 MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.20E+4	-26.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM86022 (Ribalinine, 3) Show SMILES Cn1c2OC(C)(C)[C@H](O)Cc2c(=O)c2ccccc12 |r| Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.00E+4	-24.1	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM86021 (2,2,6-Trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c...) Show SMILES Cn1c2ccccc2c2OC(C)(C)[C@@H](O)Cc2c1=O |r| Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(19-15)9-6-4-5-7-11(9)16(3)14(10)18/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.00E+4	-23.5	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM86021 (2,2,6-Trimethyl-3,4,5,6-tetrahydro-2H-pyrano[3,2-c...) Show SMILES Cn1c2ccccc2c2OC(C)(C)[C@@H](O)Cc2c1=O |r| Show InChI InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(19-15)9-6-4-5-7-11(9)16(3)14(10)18/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10E+5	-23.0	n/a	n/a	n/a	n/a	n/a	n/a	30
University of Karachi					Assay Description AChE and BChE inhibitory activities were measured in vitro by a modified spectrophotometric method. all the inhibition studies were performed using ...				J Enzyme Inhib Med Chem 21: 703-10 (2006) Article DOI: 10.1080/14756360600889708 BindingDB Entry DOI: 10.7270/Q26D5RJS
					More data for this Ligand-Target Pair
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
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	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by modified Ellman method				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	BDBM8726 (5-chloro-2-(2,4-dichlorophenoxy)phenol | CHEMBL849...) Show SMILES Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl Show InChI InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum enoyl-ACP reductase assessed as oxidation of NADH to NAD+ after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 22: 610-2 (2011) Article DOI: 10.1016/j.bmcl.2011.10.072 BindingDB Entry DOI: 10.7270/Q2K35V3H
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Cholinesterase (Homo sapiens (Human))	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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	857	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin)				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM91713 (Androst-4-en-3,17-dione, 2 | Androst-4-ene-3,17-di...) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O |t:8| Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421626 (CHEMBL139685) Show SMILES CN[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C24H44N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-22,25H,7-15H2,1-6H3/t16-,17?,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421627 (CHEMBL136317) Show SMILES C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421630 (CHEMBL136251) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CCC2=C1)[C@H](C)N(C)C |c:19,27| Show InChI InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,25-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	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 MMDB 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 Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					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 (Homo sapiens (Human))	BDBM50421625 (CHEMBL136135) Show SMILES C\C=C(/C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CCC4[C@@H]3CC[C@H]2C1=O)[C@H](C)N(C)C |t:7| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21?,22-,23-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421636 (CHEMBL139424) Show SMILES C\C=C(/C)C(=O)N[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O |t:8| Show InChI InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8,15,18,20-25,31H,9-14,16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135159 ((20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C |r| Show InChI InChI=1S/C33H50N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-12,17,23,25-30H,13-16,18-22H2,1-6H3/b17-12+/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421631 (CHEMBL136765) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C)N(C)C(C)=O |t:8| Show InChI InChI=1S/C26H44N2O/c1-17(28(7)18(2)29)22-10-11-23-21-9-8-19-16-20(27(5)6)12-14-25(19,3)24(21)13-15-26(22,23)4/h8,17,20-24H,9-16H2,1-7H3/t17-,20-,21-,22+,23-,24-,25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421634 (CHEMBL137721) Show SMILES CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:13| Show InChI InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h9,16-19,21-22,25H,7-8,10-15H2,1-6H3/t16-,17-,18-,19-,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM91719 (1-Dehydrotestosterone, 8) Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O |c:12,t:8| Show InChI InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					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 (Homo sapiens (Human))	BDBM50412078 (EPIPACHYSAMINE D) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)c1ccccc1)N(C)C |r| Show InChI InChI=1S/C30H46N2O/c1-20(32(4)5)25-13-14-26-24-12-11-22-19-23(31-28(33)21-9-7-6-8-10-21)15-17-29(22,2)27(24)16-18-30(25,26)3/h6-10,20,22-27H,11-19H2,1-5H3,(H,31,33)/t20-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421635 (CHEMBL2368067) Show SMILES [H][C@@](C)(N(C)C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4[C@@H](O)[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)NC(=O)C(\C)=C\C |t:15| Show InChI InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24-25,31H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,25+,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50250634 (CHEMBL466169 | [(20S)-20-(dimethylamino)-3-beta-(2...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13| Show InChI InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1	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	3.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin)				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421629 (CHEMBL337494) Show SMILES C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC=C32)[C@H](C)N(C)C)[C@H]1O |t:25| Show InChI InChI=1S/C28H46N2O3/c1-8-16(2)26(33)29-24-23(31)15-28(5)21-13-14-27(4)19(17(3)30(6)7)11-12-20(27)18(21)9-10-22(28)25(24)32/h8,12,17-19,21-25,31-32H,9-11,13-15H2,1-7H3,(H,29,33)/b16-8+/t17-,18-,19+,21-,22?,23-,24-,25+,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421628 (CHEMBL344384) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C)N(C)C |t:8| Show InChI InChI=1S/C25H44N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h8,17,19-23H,9-16H2,1-7H3/t17-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50412080 (CHEMBL342394) Show SMILES CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C |r,c:20| Show InChI InChI=1S/C24H41NO/c1-16(25(4)5)20-9-10-21-19-8-7-17-15-18(26-6)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22H,8-15H2,1-6H3/t16-,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					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 (Homo sapiens (Human))	BDBM50421623 (CHEMBL140241) Show SMILES CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4[C@H](C)N(C)C=O)[C@@H]3CC=C2C1 |c:14,26| Show InChI InChI=1S/C24H37NO2/c1-16(25(4)15-26)20-8-9-21-19-7-6-17-14-18(27-5)10-12-23(17,2)22(19)11-13-24(20,21)3/h6,8,15-16,18-19,21-22H,7,9-14H2,1-5H3/t16-,18-,19-,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421632 (CHEMBL342245) Show SMILES C\C=C(/C)C(=O)N[C@H]1C(C[C@]2(C)[C@H]3CC[C@@]4(C)C(CC=C4[C@H](C)N(C)C)[C@@H]3CCC2[C@H]1OC(C)=O)OC(C)=O |c:19| Show InChI InChI=1S/C32H50N2O5/c1-10-18(2)30(37)33-28-27(38-20(4)35)17-32(7)25-15-16-31(6)23(19(3)34(8)9)13-14-24(31)22(25)11-12-26(32)29(28)39-21(5)36/h10,13,19,22,24-29H,11-12,14-17H2,1-9H3,(H,33,37)/b18-10+/t19-,22-,24?,25-,26?,27?,28-,29+,31+,32+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421624 (CHEMBL136052) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C)N(C)C(C)=O Show InChI InChI=1S/C26H46N2O/c1-17(28(7)18(2)29)22-10-11-23-21-9-8-19-16-20(27(5)6)12-14-25(19,3)24(21)13-15-26(22,23)4/h17,19-24H,8-16H2,1-7H3/t17-,19-,20-,21-,22+,23-,24-,25-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8885 ((1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethylte...) Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18| Show InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50250635 (CHEMBL517605 | [(20S)-20-(dimethylamino)-3-beta-(2...) Show SMILES CC(C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:12| Show InChI InChI=1S/C30H52N2O2/c1-19(2)26(33)31-25-14-17-30(34)18-21-12-15-28(6)22(20(3)32(8)9)13-16-29(28,7)23(21)10-11-24(30)27(25,4)5/h12,19-20,22-25,34H,10-11,13-18H2,1-9H3,(H,31,33)/t20-,22+,23+,24-,25-,28+,29-,30-/m0/s1	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	5.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Karachi Curated by ChEMBL					Assay Description Inhibition of BChE (unknown origin)				J Nat Prod 66: 739-42 (2003) Article DOI: 10.1021/np020446o BindingDB Entry DOI: 10.7270/Q2862G6D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM91722 (11alpha-17beta-Dihydroxyandrost-1,4-dien-3-one, 11) Show SMILES C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O |c:13,t:9| Show InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Jordan					Assay Description AChE and BChE inhibiting activities were measured in vitro by a modified spectrophotometric method previously developed by Ellman et. al.				J Enzyme Inhib Med Chem 24: 553-8 (2009) Article DOI: 10.1080/14756360802236393 BindingDB Entry DOI: 10.7270/Q20K274X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135156 (Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...) Show SMILES C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C |c:20| Show InChI InChI=1S/C30H48N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,13,18,20-21,23-27,34H,10-12,14-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,23-,24-,25-,26-,27+,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135152 (CHEMBL422098 | N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(C)=O)N(C)C Show InChI InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair

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