Compile Data Set for Download or QSAR

Found 52 hits of ki data for polymerid = 1064   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Mus musculus (mouse))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50604668 (CHEMBL5180947) Show SMILES COc1cc2CC(F)(CC3CCN(Cc4cccc(F)c4)CC3)S(=O)(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114305 BindingDB Entry DOI: 10.7270/Q26M3BX2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50149201 (3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...) Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cnnn1CCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21 Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)49(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-46-48-50(32)25-23-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,47)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50403547 (ATROPEN | ATROPINE) Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4| Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50585443 (CHEMBL5082250) Show SMILES O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse AChE assessed as inhibition constant using acetylthiocholine iodide as substrate measured every 2 mins by lineweaver-burk plot an...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114045 BindingDB Entry DOI: 10.7270/Q29K4G4C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004656 ((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...) Show SMILES C[N+](C)(C)CCOC(N)=O Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]oxotremorine from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50377920 (CHEMBL540657) Show SMILES Nc1ccc2c(c1)c(-c1ccccc1)n(CCCCCCc1cn(CCNc3c4CCCCc4nc4ccccc34)nn1)c1cc(=[NH2+])ccc21 Show InChI InChI=1S/C42H44N8/c43-30-19-21-33-34-22-20-31(44)27-40(34)50(42(37(33)26-30)29-12-4-3-5-13-29)24-11-2-1-6-14-32-28-49(48-47-32)25-23-45-41-35-15-7-9-17-38(35)46-39-18-10-8-16-36(39)41/h3-5,7,9,12-13,15,17,19-22,26-28,44H,1-2,6,8,10-11,14,16,18,23-25,43H2,(H,45,46)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	18	-10.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM120262 (EDROPHONIUM BROMIDE | EDROPHONIUM CHLORIDE | Edrop...) Show SMILES CC[N+](C)(C)c1cccc(O)c1 Show InChI InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	250	-9.00	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM120263 (N-methylacridinium) Show SMILES C[n+]1c2ccccc2cc2ccccc12 Show InChI InChI=1S/C14H12N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-10H,1H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	310	-8.87	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	460	-8.64	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202489 (CHEMBL3910200) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H12ClN3O3S/c1-10(22)24-12-6-4-5-11(9-12)15(23)19-17-21-20-16(25-17)13-7-2-3-8-14(13)18/h2-9H,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202492 (CHEMBL3938124) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-10-4-3-5-11(8-10)14(22)19-16-21-20-15(23-16)12-6-1-2-7-13(12)18/h1-8H,9H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202494 (CHEMBL3893245) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C16H12ClN3OS/c17-10-11-5-4-8-13(9-11)14(21)18-16-20-19-15(22-16)12-6-2-1-3-7-12/h1-9H,10H2,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202508 (CHEMBL3962271) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccccc1 Show InChI InChI=1S/C17H13N3O3S/c1-11(21)23-14-9-5-8-13(10-14)15(22)18-17-20-19-16(24-17)12-6-3-2-4-7-12/h2-10H,1H3,(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202496 (CHEMBL3891487) Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1nnc(s1)-c1ccccc1Cl Show InChI InChI=1S/C17H8ClF6N3OS/c18-12-4-2-1-3-11(12)14-26-27-15(29-14)25-13(28)8-5-9(16(19,20)21)7-10(6-8)17(22,23)24/h1-7H,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50292569 (2-[(1Z)-(hydroxyimino)methyl]-1-(7-{2-[(1E)-(hydro...) Show SMILES O=NCc1cccc[n+]1CCCCCCC[n+]1ccccc1CN=O Show InChI InChI=1S/C19H26N4O2/c24-20-16-18-10-4-8-14-22(18)12-6-2-1-3-7-13-23-15-9-5-11-19(23)17-21-25/h4-5,8-11,14-15H,1-3,6-7,12-13,16-17H2/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50004665 ((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...) Show SMILES O=C1CCCN1CC#CCN1CCCC1 Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Carolina Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity by displacing [3H]methylscopolamine [3H]NMS from mouse cerebral cortex tissue.				J Med Chem 35: 1102-8 (1992) BindingDB Entry DOI: 10.7270/Q28K79QR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM31904 (CHEMBL345124 | Propidium | Propidium Iodide, 2 | p...) Show SMILES CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12 Show InChI InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM152524 (N-(4-(3-(4-(pyridin-2-yl)piperazin-1-yl)propoxy)ph...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C20H26N4O2/c1-17(25)22-18-6-8-19(9-7-18)26-16-4-11-23-12-14-24(15-13-23)20-5-2-3-10-21-20/h2-3,5-10H,4,11-16H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.26E+3	n/a	1.67E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152520 (N-[4-{3-(4-phenylpiperazin-1-yl)propoxy}phenyl]ace...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C21H27N3O2/c1-18(25)22-19-8-10-21(11-9-19)26-17-5-12-23-13-15-24(16-14-23)20-6-3-2-4-7-20/h2-4,6-11H,5,12-17H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.28E+3	n/a	1.39E+3	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152521 (N-(4-(3-(4-(2-fluorophenyl)piperazin-1-yl)propoxy)...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccccc2F)cc1 Show InChI InChI=1S/C21H26FN3O2/c1-17(26)23-18-7-9-19(10-8-18)27-16-4-11-24-12-14-25(15-13-24)21-6-3-2-5-20(21)22/h2-3,5-10H,4,11-16H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.54E+3	n/a	1.36E+3	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202499 (CHEMBL3960527) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1cccc(Cl)c1)CC(C)(C)C Show InChI InChI=1S/C17H22ClN3OS/c1-11(10-17(2,3)4)8-14(22)19-16-21-20-15(23-16)12-6-5-7-13(18)9-12/h5-7,9,11H,8,10H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50060582 (1,10-Bis(trimethyl ammonium)decane dibromide | 1,1...) Show SMILES C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C Show InChI InChI=1S/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202486 (CHEMBL3909539) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)s1 Show InChI InChI=1S/C18H11F6N3OS/c1-9-2-4-10(5-3-9)15-26-27-16(29-15)25-14(28)11-6-12(17(19,20)21)8-13(7-11)18(22,23)24/h2-8H,1H3,(H,25,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202495 (CHEMBL3980699) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(s1)-c1ccc(C)cc1 Show InChI InChI=1S/C18H15N3O3S/c1-11-6-8-13(9-7-11)17-20-21-18(25-17)19-16(23)14-4-3-5-15(10-14)24-12(2)22/h3-10H,1-2H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202491 (CHEMBL3951830) Show SMILES Cc1ccc(cc1)-c1nnc(NC(=O)c2cccc(CCl)c2)s1 Show InChI InChI=1S/C17H14ClN3OS/c1-11-5-7-13(8-6-11)16-20-21-17(23-16)19-15(22)14-4-2-3-12(9-14)10-18/h2-9H,10H2,1H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202490 (CHEMBL3944788) Show SMILES CC(CC(=O)Nc1nnc(Cc2ccccc2)s1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-13(12-18(2,3)4)10-15(22)19-17-21-20-16(23-17)11-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152522 (N-(4-(3-(4-(4-fluorophenyl)piperazin-1-yl)propoxy)...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H26FN3O2/c1-17(26)23-19-5-9-21(10-6-19)27-16-2-11-24-12-14-25(15-13-24)20-7-3-18(22)4-8-20/h3-10H,2,11-16H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	490	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202487 (CHEMBL3953512) Show SMILES ClCc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C17H14ClN3OS/c18-11-13-7-4-8-14(9-13)16(22)19-17-21-20-15(23-17)10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152515 (N-(4-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoet...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H22FN3O3/c1-15(25)22-17-4-8-19(9-5-17)27-14-20(26)24-12-10-23(11-13-24)18-6-2-16(21)3-7-18/h2-9H,10-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.45E+3	n/a	4.36E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202493 (CHEMBL3974229) Show SMILES CC(=O)Oc1cccc(c1)C(=O)Nc1nnc(Cc2ccccc2)s1 Show InChI InChI=1S/C18H15N3O3S/c1-12(22)24-15-9-5-8-14(11-15)17(23)19-18-21-20-16(25-18)10-13-6-3-2-4-7-13/h2-9,11H,10H2,1H3,(H,19,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Competitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202497 (CHEMBL3982229) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C Show InChI InChI=1S/C17H23N3OS/c1-12(11-17(2,3)4)10-14(21)18-16-20-19-15(22-16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202488 (CHEMBL3979735) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccc(C)cc1)CC(C)(C)C Show InChI InChI=1S/C18H25N3OS/c1-12-6-8-14(9-7-12)16-20-21-17(23-16)19-15(22)10-13(2)11-18(3,4)5/h6-9,13H,10-11H2,1-5H3,(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152516 (N-(4-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-yl)etho...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C19H22N4O3/c1-15(24)21-16-5-7-17(8-6-16)26-14-19(25)23-12-10-22(11-13-23)18-4-2-3-9-20-18/h2-9H,10-14H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.95E+3	n/a	5.11E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152525 (N-(4-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propoxy)...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1 Show InChI InChI=1S/C19H25N5O2/c1-16(25)22-17-4-6-18(7-5-17)26-15-3-10-23-11-13-24(14-12-23)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.04E+3	n/a	2.75E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM12342 (2H-chromen-2-one | CHEMBL6466 | Coumarin) Show SMILES O=c1ccc2ccccc2o1 Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	9.30E+3	-6.86	n/a	n/a	n/a	n/a	n/a	7.0	25
Mayo Clinic College of Medicine					Assay Description Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...				Biochemistry 52: 7486-99 (2013) Article DOI: 10.1021/bi401043w BindingDB Entry DOI: 10.7270/Q24X56GT
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152523 (N-(4-(3-(4-(3-chlorophenyl)piperazin-1-yl)propoxy)...) Show SMILES CC(=O)Nc1ccc(OCCCN2CCN(CC2)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H26ClN3O2/c1-17(26)23-19-6-8-21(9-7-19)27-15-3-10-24-11-13-25(14-12-24)20-5-2-4-18(22)16-20/h2,4-9,16H,3,10-15H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.90E+3	n/a	1.03E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152512 (N-[4-{2-(4-ethylpiperazin-1-yl)-2-oxoethoxy}phenyl...) Show SMILES CCN1CCN(CC1)C(=O)COc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C16H23N3O3/c1-3-18-8-10-19(11-9-18)16(21)12-22-15-6-4-14(5-7-15)17-13(2)20/h4-7H,3,8-12H2,1-2H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.58E+4	n/a	5.73E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152518 (N-(4-(2-(4-(furan-2-carbonyl)piperazin-1-yl)-2-oxo...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2ccco2)cc1 Show InChI InChI=1S/C19H21N3O5/c1-14(23)20-15-4-6-16(7-5-15)27-13-18(24)21-8-10-22(11-9-21)19(25)17-3-2-12-26-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.95E+4	n/a	1.07E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50061568 (2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N...) Show SMILES C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50055159 (CHEMBL136916 | CHEMBL150001 | Trimethyl-(4-oxo-pen...) Show SMILES CC(=O)CCC[N+](C)(C)C Show InChI InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Siena Curated by ChEMBL					Assay Description Binding affinity to mouse AChE				J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM152517 (N-(4-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)et...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1 Show InChI InChI=1S/C18H21N5O3/c1-14(24)21-15-3-5-16(6-4-15)26-13-17(25)22-9-11-23(12-10-22)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.48E+4	n/a	1.56E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152513 (N-[4-{2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy}pheny...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C20H23N3O3/c1-16(24)21-17-7-9-19(10-8-17)26-15-20(25)23-13-11-22(12-14-23)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.37E+4	n/a	1.66E+3	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM152514 (N-(4-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoet...) Show SMILES CC(=O)Nc1ccc(OCC(=O)N2CCN(CC2)c2ccccc2F)cc1 Show InChI InChI=1S/C20H22FN3O3/c1-15(25)22-16-6-8-17(9-7-16)27-14-20(26)24-12-10-23(11-13-24)19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3,(H,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.68E+4	n/a	3.02E+4	n/a	n/a	n/a	n/a	8.0	n/a
Panjab University					Assay Description An aliquot of diluted solution at five different concentration (1, 5, 10,15 and 25 µl) levels was mixed with phosphate buffer (pH 8.0, 3.0 ml), 100 µ...				Bioorg Chem 60: 64-73 (2015) Article DOI: 10.1016/j.bioorg.2015.04.004 BindingDB Entry DOI: 10.7270/Q25B016Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50217962 (CHEMBL39800) Show SMILES CCOP(F)(=O)CCC(=O)NCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C24H26FN2O5PS/c1-2-32-33(25,29)16-13-22(28)26-14-4-15-27-34(30,31)21-12-10-19-8-7-17-5-3-6-18-9-11-20(21)24(19)23(17)18/h3,5-12,27H,2,4,13-16H2,1H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibitory constant against wild type Acetylcholinesterase				Bioorg Med Chem Lett 10: 1523-6 (2000) BindingDB Entry DOI: 10.7270/Q21Z46MN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50217963 (CHEMBL39854) Show SMILES CCOP(F)(=O)CCC(=O)NCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C23H24FN2O5PS/c1-2-31-32(24,28)15-12-21(27)25-13-14-26-33(29,30)20-11-9-18-7-6-16-4-3-5-17-8-10-19(20)23(18)22(16)17/h3-11,26H,2,12-15H2,1H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibitory constant against wild type Acetylcholinesterase				Bioorg Med Chem Lett 10: 1523-6 (2000) BindingDB Entry DOI: 10.7270/Q21Z46MN
					More data for this Ligand-Target Pair

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