Compile Data Set for Download or QSAR

Found 171 hits with Last Name = 'engdahl' and Initial = 'c'   

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))	BDBM55727 (2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...) Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	26	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 measured over 60 secs by Ellman assay				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM55727 (2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...) Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Anopheles gambiae)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
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 (Aedes aegypti)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae head extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae head extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50198343 (CHEMBL3965046) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50198343 (CHEMBL3965046) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50198343 (CHEMBL3965046) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467874 (CHEMBL4276694) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467882 (CHEMBL4284619) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467874 (CHEMBL4276694) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM55727 (2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)...) Show SMILES Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 Show InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467882 (CHEMBL4284619) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467873 (CHEMBL4285972) Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C24H31N3O2/c1-25-15-17-26(18-16-25)22-11-13-27(14-12-22)24(28)19-29-23-9-7-21(8-10-23)20-5-3-2-4-6-20/h2-10,22H,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467874 (CHEMBL4276694) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C25H32FN3O2/c1-2-27-15-17-28(18-16-27)21-11-13-29(14-12-21)25(30)19-31-22-9-7-20(8-10-22)23-5-3-4-6-24(23)26/h3-10,21H,2,11-19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252266 (CHEMBL1340607) Show SMILES COc1ccc(NC(S)=NCCN2CCC(C)CC2)cc1Cl Show InChI InChI=1S/C16H24ClN3OS/c1-12-5-8-20(9-6-12)10-7-18-16(22)19-13-3-4-15(21-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3,(H2,18,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467882 (CHEMBL4284619) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(OC)cc1 Show InChI InChI=1S/C26H35N3O3/c1-3-27-16-18-28(19-17-27)23-12-14-29(15-13-23)26(30)20-32-25-10-6-22(7-11-25)21-4-8-24(31-2)9-5-21/h4-11,23H,3,12-20H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					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 (Anopheles gambiae)	BDBM50198343 (CHEMBL3965046) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467887 (CHEMBL4291845) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C25H32N4O4/c1-2-26-15-17-27(18-16-26)22-11-13-28(14-12-22)25(30)19-33-24-9-5-21(6-10-24)20-3-7-23(8-4-20)29(31)32/h3-10,22H,2,11-19H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
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 (Anopheles gambiae)	BDBM50198373 (CHEMBL3960962) Show SMILES C(Oc1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 Show InChI InChI=1S/C23H23NO/c1-2-6-20(7-3-1)18-25-23-12-10-19(11-13-23)16-24-15-14-21-8-4-5-9-22(21)17-24/h1-13H,14-18H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of Anopheles gambiae recombinant AChE1 expressed in baculovirus infected insect Sf9 cells using acetylthiocholine iodide as substrate meas...				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467884 (CHEMBL4295165) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccccc2)CC1 Show InChI InChI=1S/C23H31N3O2/c1-2-25-15-17-26(18-16-25)14-6-13-24-23(27)19-28-22-11-9-21(10-12-22)20-7-4-3-5-8-20/h3-5,7-12H,2,6,13-19H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467878 (CHEMBL4278046) Show SMILES O=C(COc1ccc(cc1)-c1ccccc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-13-22(14-18-26)25-15-5-2-6-16-25)19-28-23-11-9-21(10-12-23)20-7-3-1-4-8-20/h1,3-4,7-12,22H,2,5-6,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467888 (CHEMBL4292499) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccc(OC)cc2)CC1 Show InChI InChI=1S/C24H33N3O3/c1-3-26-15-17-27(18-16-26)14-4-13-25-24(28)19-30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20/h5-12H,3-4,13-19H2,1-2H3,(H,25,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Aedes aegypti)	BDBM50467878 (CHEMBL4278046) Show SMILES O=C(COc1ccc(cc1)-c1ccccc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-13-22(14-18-26)25-15-5-2-6-16-25)19-28-23-11-9-21(10-12-23)20-7-3-1-4-8-20/h1,3-4,7-12,22H,2,5-6,13-19H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Aedes aegypti AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellm...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467878 (CHEMBL4278046) Show SMILES O=C(COc1ccc(cc1)-c1ccccc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-13-22(14-18-26)25-15-5-2-6-16-25)19-28-23-11-9-21(10-12-23)20-7-3-1-4-8-20/h1,3-4,7-12,22H,2,5-6,13-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467878 (CHEMBL4278046) Show SMILES O=C(COc1ccc(cc1)-c1ccccc1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-13-22(14-18-26)25-15-5-2-6-16-25)19-28-23-11-9-21(10-12-23)20-7-3-1-4-8-20/h1,3-4,7-12,22H,2,5-6,13-19H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50467883 (CHEMBL4287340) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc2C(=O)CCc2c1 Show InChI InChI=1S/C22H31N3O3/c1-2-23-11-13-24(14-12-23)18-7-9-25(10-8-18)22(27)16-28-19-4-5-20-17(15-19)3-6-21(20)26/h4-5,15,18H,2-3,6-14,16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50198437 (CHEMBL577016 | GNF-Pf-5524) Show SMILES CCSc1nc2sc3CN(Cc4ccccc4)CCc3c2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C24H23N3OS2/c1-2-29-24-25-22-21(23(28)27(24)18-11-7-4-8-12-18)19-13-14-26(16-20(19)30-22)15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate measured over 60 secs by Ellman assay				J Med Chem 59: 9409-9421 (2016) Article DOI: 10.1021/acs.jmedchem.6b00967 BindingDB Entry DOI: 10.7270/Q2HM5BFB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467885 (CHEMBL4290992) Show SMILES COc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1 Show InChI InChI=1S/C23H30N2O3/c1-27-21-10-6-19(7-11-21)20-8-12-22(13-9-20)28-18-23(26)24-14-5-17-25-15-3-2-4-16-25/h6-13H,2-5,14-18H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467888 (CHEMBL4292499) Show SMILES CCN1CCN(CCCNC(=O)COc2ccc(cc2)-c2ccc(OC)cc2)CC1 Show InChI InChI=1S/C24H33N3O3/c1-3-26-15-17-27(18-16-26)14-4-13-25-24(28)19-30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20/h5-12H,3-4,13-19H2,1-2H3,(H,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured over 60 secs by ...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50467886 (CHEMBL4291400) Show SMILES CCN1CCN(CC1)C1CCN(CC1)C(=O)COc1ccc(I)cc1 Show InChI InChI=1S/C19H28IN3O2/c1-2-21-11-13-22(14-12-21)17-7-9-23(10-8-17)19(24)15-25-18-5-3-16(20)4-6-18/h3-6,17H,2,7-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umea University Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae AChE1 G122S mutant expressed in sf9 insect cells using acetylthiocholine iodide as substrate measured ove...				J Med Chem 61: 10545-10557 (2018) Article DOI: 10.1021/acs.jmedchem.8b01060 BindingDB Entry DOI: 10.7270/Q2FT8PQN
					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))	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 (Anopheles gambiae)	BDBM50252256 (CHEMBL4064806) Show SMILES COc1ccccc1NC(=S)NCCN(C)C Show InChI InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair

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