Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'loiodice' and Initial = 'm'   

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 (Homo sapiens (Human))	BDBM50005583 (CHEMBL138668 | CHEMBL3234592) Show SMILES O\N=C\c1nccc(CCCCCNc2c3CCCCc3nc3ccccc23)c1O Show InChI InChI=1S/C24H28N4O2/c29-24-17(13-15-25-22(24)16-27-30)8-2-1-7-14-26-23-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)23/h3,5,9,11,13,15-16,29-30H,1-2,4,6-8,10,12,14H2,(H,26,28)/b27-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005586 (CHEMBL138444 | CHEMBL3234593) Show SMILES C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccn1 Show InChI InChI=1S/C23H27N3/c1(2-10-18-11-7-9-16-24-18)8-17-25-23-19-12-3-5-14-21(19)26-22-15-6-4-13-20(22)23/h3,5,7,9,11-12,14,16H,1-2,4,6,8,10,13,15,17H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005584 (CHEMBL138748 | CHEMBL3234589) Show SMILES O\N=C\c1ncc(CCCCCNc2c3CCCCc3nc3ccccc23)cc1O Show InChI InChI=1S/C24H28N4O2/c29-23-14-17(15-26-22(23)16-27-30)8-2-1-7-13-25-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h3,5,9,11,14-16,29-30H,1-2,4,6-8,10,12-13H2,(H,25,28)/b27-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005581 (CHEMBL142140 | CHEMBL3234591) Show SMILES N\C(=N/O)c1nc(CCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H29N5O2/c25-24(29-31)23-21(30)14-13-16(27-23)8-2-1-7-15-26-22-17-9-3-5-11-19(17)28-20-12-6-4-10-18(20)22/h3,5,9,11,13-14,30-31H,1-2,4,6-8,10,12,15H2,(H2,25,29)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005563 (CHEMBL3234587 | CHEMBL434456) Show SMILES O\N=C\c1nc(CCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H28N4O2/c29-23-14-13-17(27-22(23)16-26-30)8-2-1-7-15-25-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h3,5,9,11,13-14,16,29-30H,1-2,4,6-8,10,12,15H2,(H,25,28)/b26-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399977 (CHEMBL2181432) Show SMILES COc1cc2CCN(CCCCCc3ccc(O)c(CN=O)n3)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C28H33N3O4/c1-34-26-17-21-14-16-31(28(20-9-5-3-6-10-20)23(21)18-27(26)35-2)15-8-4-7-11-22-12-13-25(32)24(30-22)19-29-33/h3,5-6,9-10,12-13,17-18,28,32H,4,7-8,11,14-16,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399978 (CHEMBL2181431) Show SMILES COc1cc2CCN(CCCCc3ccc(O)c(CN=O)n3)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C27H31N3O4/c1-33-25-16-20-13-15-30(14-7-6-10-21-11-12-24(31)23(29-21)18-28-32)27(19-8-4-3-5-9-19)22(20)17-26(25)34-2/h3-5,8-9,11-12,16-17,27,31H,6-7,10,13-15,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005552 (CHEMBL141859 | CHEMBL3234594) Show SMILES C(CCSc1c2CCCCc2nc2ccccc12)CCc1ccccn1 Show InChI InChI=1S/C23H26N2S/c1(2-10-18-11-7-8-16-24-18)9-17-26-23-19-12-3-5-14-21(19)25-22-15-6-4-13-20(22)23/h3,5,7-8,11-12,14,16H,1-2,4,6,9-10,13,15,17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399975 (CHEMBL2181435) Show SMILES COc1cc2CCN(CCCc3ccnc(CN=O)c3O)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C26H29N3O4/c1-32-23-15-20-11-14-29(13-6-9-19-10-12-27-22(17-28-31)26(19)30)25(18-7-4-3-5-8-18)21(20)16-24(23)33-2/h3-5,7-8,10,12,15-16,25,30H,6,9,11,13-14,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399979 (CHEMBL2181430) Show SMILES COc1cc2CCN(CCCc3ccc(O)c(CN=O)n3)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C26H29N3O4/c1-32-24-15-19-12-14-29(13-6-9-20-10-11-23(30)22(28-20)17-27-31)26(18-7-4-3-5-8-18)21(19)16-25(24)33-2/h3-5,7-8,10-11,15-16,26,30H,6,9,12-14,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399973 (CHEMBL2181438) Show SMILES COc1cc2CCN(CCCCCCc3cc(C)nc(CN=O)c3O)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C30H37N3O4/c1-21-17-24(30(34)26(32-21)20-31-35)13-7-4-5-10-15-33-16-14-23-18-27(36-2)28(37-3)19-25(23)29(33)22-11-8-6-9-12-22/h6,8-9,11-12,17-19,29,34H,4-5,7,10,13-16,20H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005585 (CHEMBL138021 | CHEMBL3234590) Show SMILES O\N=C\c1nc(CCCCCSc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H27N3O2S/c28-23-14-13-17(26-22(23)16-25-29)8-2-1-7-15-30-24-18-9-3-5-11-20(18)27-21-12-6-4-10-19(21)24/h3,5,9,11,13-14,16,28-29H,1-2,4,6-8,10,12,15H2/b25-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399974 (CHEMBL2181437) Show SMILES COc1cc2CCN(CCCCCc3ccnc(CN=O)c3O)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C28H33N3O4/c1-34-25-17-22-13-16-31(27(20-9-5-3-6-10-20)23(22)18-26(25)35-2)15-8-4-7-11-21-12-14-29-24(19-30-33)28(21)32/h3,5-6,9-10,12,14,17-18,27,32H,4,7-8,11,13,15-16,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399976 (CHEMBL2181433) Show SMILES COc1cc2CCN(CCCCCCc3ccc(O)c(CN=O)n3)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C29H35N3O4/c1-35-27-18-22-15-17-32(29(21-10-6-5-7-11-21)24(22)19-28(27)36-2)16-9-4-3-8-12-23-13-14-26(33)25(31-23)20-30-34/h5-7,10-11,13-14,18-19,29,33H,3-4,8-9,12,15-17,20H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50399972 (CHEMBL2181440) Show SMILES COc1cc2CCN(CCCCCc3cnc(CN=O)c(O)c3)C(c3ccccc3)c2cc1OC Show InChI InChI=1S/C28H33N3O4/c1-34-26-16-22-12-14-31(28(21-10-6-3-7-11-21)23(22)17-27(26)35-2)13-8-4-5-9-20-15-25(32)24(19-30-33)29-18-20/h3,6-7,10-11,15-18,28,32H,4-5,8-9,12-14,19H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rouen Curated by ChEMBL					Assay Description Inhibition of human AChE				J Med Chem 55: 10791-5 (2012) Article DOI: 10.1021/jm3015519 BindingDB Entry DOI: 10.7270/Q2CF9R8M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005571 (CHEMBL139138 | CHEMBL2181429) Show SMILES CS([O-])(=O)=O.CS([O-])(=O)=O.NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2\C=N\O)cc1 Show InChI InChI=1S/C15H15N5O4.2CH4O3S/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23;2*1-5(2,3)4/h1-9H,10-11H2,(H2-,16,21,22,23);2*1H3,(H,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005563 (CHEMBL3234587 | CHEMBL434456) Show SMILES O\N=C\c1nc(CCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H28N4O2/c29-23-14-13-17(27-22(23)16-26-30)8-2-1-7-15-25-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h3,5,9,11,13-14,16,29-30H,1-2,4,6-8,10,12,15H2,(H,25,28)/b26-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50041520 (1,3-PROPYLENE-BIS-N,N''-SYN-4-PYRIDINIUMALDOXIME |...) Show SMILES O=NCc1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1 Show InChI InChI=1S/C15H18N4O2/c20-16-12-14-2-8-18(9-3-14)6-1-7-19-10-4-15(5-11-19)13-17-21/h2-5,8-11H,1,6-7,12-13H2/q+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	2.50E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005571 (CHEMBL139138 | CHEMBL2181429) Show SMILES CS([O-])(=O)=O.CS([O-])(=O)=O.NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2\C=N\O)cc1 Show InChI InChI=1S/C15H15N5O4.2CH4O3S/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23;2*1-5(2,3)4/h1-9H,10-11H2,(H2-,16,21,22,23);2*1H3,(H,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005563 (CHEMBL3234587 | CHEMBL434456) Show SMILES O\N=C\c1nc(CCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H28N4O2/c29-23-14-13-17(27-22(23)16-26-30)8-2-1-7-15-25-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h3,5,9,11,13-14,16,29-30H,1-2,4,6-8,10,12,15H2,(H,25,28)/b26-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005579 (CHEMBL139148 | Obidoxime) Show SMILES O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1 Show InChI InChI=1S/C14H14N4O3/c19-15-9-13-1-5-17(6-2-13)11-21-12-18-7-3-14(4-8-18)10-16-20/h1-10H,11-12H2/p+2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005571 (CHEMBL139138 | CHEMBL2181429) Show SMILES CS([O-])(=O)=O.CS([O-])(=O)=O.NC(=O)c1cc[n+](COC[n+]2ccc(\C=N\O)cc2\C=N\O)cc1 Show InChI InChI=1S/C15H15N5O4.2CH4O3S/c16-15(21)13-2-4-19(5-3-13)10-24-11-20-6-1-12(8-17-22)7-14(20)9-18-23;2*1-5(2,3)4/h1-9H,10-11H2,(H2-,16,21,22,23);2*1H3,(H,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005568 (CHEMBL141735 | CHEMBL3234584) Show SMILES [Cl-].[Cl-].NC(=O)c1cc[n+](CCC[n+]2ccccc2\C=N\O)cc1 Show InChI InChI=1S/C15H16N4O2.2ClH/c16-15(20)13-5-10-18(11-6-13)7-3-9-19-8-2-1-4-14(19)12-17-21;;/h1-2,4-6,8,10-12H,3,7,9H2,(H-,16,20);2*1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50011780 (2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...) Show SMILES C[n+]1ccccc1CN=O Show InChI InChI=1S/C7H9N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-5H,6H2,1H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.15E+5	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005566 (CHEMBL139018 | CHEMBL3234588) Show SMILES O\N=C\c1nc(CCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C23H26N4O2/c28-22-13-12-16(26-21(22)15-25-29)7-5-6-14-24-23-17-8-1-3-10-19(17)27-20-11-4-2-9-18(20)23/h1,3,8,10,12-13,15,28-29H,2,4-7,9,11,14H2,(H,24,27)/b25-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005563 (CHEMBL3234587 | CHEMBL434456) Show SMILES O\N=C\c1nc(CCCCCNc2c3CCCCc3nc3ccccc23)ccc1O Show InChI InChI=1S/C24H28N4O2/c29-23-14-13-17(27-22(23)16-26-30)8-2-1-7-15-25-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h3,5,9,11,13-14,16,29-30H,1-2,4,6-8,10,12,15H2,(H,25,28)/b26-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005562 (CHEMBL138290 | CHEMBL3234586) Show SMILES CN(CCCNc1c2CCCCc2nc2ccccc12)Cc1ccnc(\C(N)=N\O)c1O Show InChI InChI=1S/C24H30N6O2/c1-30(15-16-11-13-27-22(23(16)31)24(25)29-32)14-6-12-26-21-17-7-2-4-9-19(17)28-20-10-5-3-8-18(20)21/h2,4,7,9,11,13,31-32H,3,5-6,8,10,12,14-15H2,1H3,(H2,25,29)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50005558 (CHEMBL138554 | CHEMBL3233028) Show SMILES CN(CCNc1c2CCCCc2nc2ccccc12)Cc1ccnc(\C(N)=N\O)c1O Show InChI InChI=1S/C23H28N6O2/c1-29(14-15-10-11-25-21(22(15)30)23(24)28-31)13-12-26-20-16-6-2-4-8-18(16)27-19-9-5-3-7-17(19)20/h2,4,6,8,10-11,30-31H,3,5,7,9,12-14H2,1H3,(H2,24,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg Curated by ChEMBL					Assay Description Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's method				Eur J Med Chem 78: 455-67 (2014) Article DOI: 10.1016/j.ejmech.2014.03.044 BindingDB Entry DOI: 10.7270/Q2RJ4M0X
					More data for this Ligand-Target Pair