Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50043567   

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 (Mus musculus (mouse))	BDBM50342601 (CHEMBL1255901 | Huperzine A) Show SMILES C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15| Show InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse AChE				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					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	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of wild type mouse AChE expressed in HEK293 cells using ATCh as substrate				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443031 (CHEMBL3087804) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(Oc2c(Cl)cccc2[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22ClN3O5S/c1-3-21(4-2)13-12-20-28(25,26)15-10-8-14(9-11-15)27-18-16(19)6-5-7-17(18)22(23)24/h5-11,20H,3-4,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443045 (CHEMBL3087811) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H20Cl2N2O2S/c1-3-17(4-2)8-7-16-20(18,19)10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443042 (CHEMBL3087814) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(OC)c1 Show InChI InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443046 (CHEMBL3087810) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(Br)cc1 Show InChI InChI=1S/C13H21BrN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443029 (CHEMBL3087809) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443030 (CHEMBL3087808) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443027 (CHEMBL3087794) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)9-8-14-18(16,17)12-7-5-6-11(13)10-12/h5-7,10,14H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443028 (CHEMBL3087815) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443044 (CHEMBL3087812) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C12H20N2O2S/c1-3-14(4-2)11-10-13-17(15,16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443047 (CHEMBL3087807) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(F)cc1 Show InChI InChI=1S/C13H21FN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443043 (CHEMBL3087813) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccccc1F Show InChI InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443034 (CHEMBL3087801) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C16H22N2O2S/c1-3-18(4-2)13-12-17-21(19,20)16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443048 (CHEMBL3087806) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(C)cc1 Show InChI InChI=1S/C14H24N2O2S/c1-4-16(5-2)11-10-15-19(17,18)12-14-8-6-13(3)7-9-14/h6-9,15H,4-5,10-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443035 (CHEMBL3087800) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C12H18F2N2O2S/c1-3-16(4-2)8-7-15-19(17,18)10-5-6-11(13)12(14)9-10/h5-6,9,15H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443039 (CHEMBL3087797) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443038 (CHEMBL1624646) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443036 (CHEMBL3087799) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F Show InChI InChI=1S/C12H18ClFN2O2S/c1-3-16(4-2)8-7-15-19(17,18)12-6-5-10(13)9-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443037 (CHEMBL3087798) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C12H19N3O4S/c1-3-14(4-2)10-9-13-20(18,19)12-7-5-11(6-8-12)15(16)17/h5-8,13H,3-4,9-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443041 (CHEMBL3087795) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C13H22N2O3S/c1-4-15(5-2)11-10-14-19(16,17)13-8-6-12(18-3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443040 (CHEMBL3087796) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C13H22N2O2S/c1-4-15(5-2)11-10-14-18(16,17)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443049 (CHEMBL3087805) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccccc1 Show InChI InChI=1S/C13H22N2O2S/c1-3-15(4-2)11-10-14-18(16,17)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443032 (CHEMBL3087803) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc(cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C18H23ClN2O2S/c1-3-21(4-2)14-13-20-24(22,23)18-11-7-16(8-12-18)15-5-9-17(19)10-6-15/h5-12,20H,3-4,13-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443033 (CHEMBL3087802) Show SMILES CCN(CC)CCNS(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H22N2O2S/c1-3-18(4-2)12-11-17-21(19,20)16-10-9-14-7-5-6-8-15(14)13-16/h5-10,13,17H,3-4,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443030 (CHEMBL3087808) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C13H21ClN2O2S/c1-3-16(4-2)10-9-15-19(17,18)11-12-5-7-13(14)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to mouse AChE by isothermal titration calorimetry				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443029 (CHEMBL3087809) Show SMILES CCN(CC)CCNS(=O)(=O)Cc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C14H21F3N2O2S/c1-3-19(4-2)10-9-18-22(20,21)11-12-5-7-13(8-6-12)14(15,16)17/h5-8,18H,3-4,9-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to mouse AChE by isothermal titration calorimetry				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443028 (CHEMBL3087815) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to mouse AChE by isothermal titration calorimetry				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443027 (CHEMBL3087794) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)9-8-14-18(16,17)12-7-5-6-11(13)10-12/h5-7,10,14H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.44E+4	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to mouse AChE by isothermal titration calorimetry				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair