Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'borges' and Initial = 'ac'   

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
Cholinesterase (Homo sapiens (Human))	BDBM50193512 (CHEMBL3931628) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C38H46ClN5O3S/c1-44-34-19-10-7-16-30(34)38(31-22-21-27(39)26-35(31)48(44,46)47)42-24-11-3-2-4-20-36(45)40-23-12-13-25-41-37-28-14-5-8-17-32(28)43-33-18-9-6-15-29(33)37/h5,7-8,10,14,16-17,19,21-22,26,38,42H,2-4,6,9,11-13,15,18,20,23-25H2,1H3,(H,40,45)(H,41,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193539 (CHEMBL3906729) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C40H50ClN5O3S/c1-46-36-21-12-9-18-32(36)40(33-24-23-29(41)28-37(33)50(46,48)49)44-27-14-3-2-6-22-38(47)42-25-13-4-5-15-26-43-39-30-16-7-10-19-34(30)45-35-20-11-8-17-31(35)39/h7,9-10,12,16,18-19,21,23-24,28,40,44H,2-6,8,11,13-15,17,20,22,25-27H2,1H3,(H,42,47)(H,43,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193537 (CHEMBL3924713) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C42H54ClN5O3S/c1-48-38-23-14-11-20-34(38)42(35-26-25-31(43)30-39(35)52(48,50)51)46-29-17-7-4-8-24-40(49)44-27-15-5-2-3-6-16-28-45-41-32-18-9-12-21-36(32)47-37-22-13-10-19-33(37)41/h9,11-12,14,18,20-21,23,25-26,30,42,46H,2-8,10,13,15-17,19,22,24,27-29H2,1H3,(H,44,49)(H,45,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430535 (CHEMBL2336426) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43ClN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193532 (CHEMBL3897721) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C41H52ClN5O3S/c1-47-37-22-13-10-19-33(37)41(34-25-24-30(42)29-38(34)51(47,49)50)45-28-16-6-3-7-23-39(48)43-26-14-4-2-5-15-27-44-40-31-17-8-11-20-35(31)46-36-21-12-9-18-32(36)40/h8,10-11,13,17,19-20,22,24-25,29,41,45H,2-7,9,12,14-16,18,21,23,26-28H2,1H3,(H,43,48)(H,44,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193530 (CHEMBL3907702) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C37H43Cl2N5O3S/c1-44-33-14-8-6-12-29(33)37(30-19-17-26(39)24-34(30)48(44,46)47)41-20-9-3-2-4-15-35(45)40-21-10-22-42-36-27-11-5-7-13-31(27)43-32-23-25(38)16-18-28(32)36/h6,8,12,14,16-19,23-24,37,41H,2-5,7,9-11,13,15,20-22H2,1H3,(H,40,45)(H,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193533 (CHEMBL3925612) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C39H48ClN5O3S/c1-45-35-20-11-8-17-31(35)39(32-23-22-28(40)27-36(32)49(45,47)48)43-25-12-3-2-5-21-37(46)41-24-13-4-14-26-42-38-29-15-6-9-18-33(29)44-34-19-10-7-16-30(34)38/h6,8-9,11,15,17-18,20,22-23,27,39,43H,2-5,7,10,12-14,16,19,21,24-26H2,1H3,(H,41,46)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430526 (CHEMBL2335967) Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H41N5/c43-30-31-24-26-34(27-25-31)42-46-39(32-16-6-4-7-17-32)41(33-18-8-5-9-19-33)47(42)29-15-3-1-2-14-28-44-40-35-20-10-12-22-37(35)45-38-23-13-11-21-36(38)40/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193529 (CHEMBL3950031) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C36H41Cl2N5O3S/c1-43-32-13-8-6-11-28(32)36(29-18-16-25(38)23-33(29)47(43,45)46)40-19-9-3-2-4-14-34(44)39-20-21-41-35-26-10-5-7-12-30(26)42-31-22-24(37)15-17-27(31)35/h6,8,11,13,15-18,22-23,36,40H,2-5,7,9-10,12,14,19-21H2,1H3,(H,39,44)(H,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430518 (CHEMBL2335975) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C40H39N5O2/c46-45(47)32-25-23-31(24-26-32)40-43-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)44(40)28-14-2-1-13-27-41-38-33-19-9-11-21-35(33)42-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193541 (CHEMBL3970840) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C37H44ClN5O3S/c1-43-33-18-10-7-15-29(33)37(30-21-20-26(38)25-34(30)47(43,45)46)40-22-11-3-2-4-19-35(44)39-23-12-24-41-36-27-13-5-8-16-31(27)42-32-17-9-6-14-28(32)36/h5,7-8,10,13,15-16,18,20-21,25,37,40H,2-4,6,9,11-12,14,17,19,22-24H2,1H3,(H,39,44)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193528 (CHEMBL3979082) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C36H42ClN5O3S/c1-42-32-17-10-7-14-28(32)36(29-20-19-25(37)24-33(29)46(42,44)45)39-21-11-3-2-4-18-34(43)38-22-23-40-35-26-12-5-8-15-30(26)41-31-16-9-6-13-27(31)35/h5,7-8,10,12,14-15,17,19-20,24,36,39H,2-4,6,9,11,13,16,18,21-23H2,1H3,(H,38,43)(H,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (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 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	23	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430534 (CHEMBL2336428) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193514 (CHEMBL3897530) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C39H47Cl2N5O3S/c1-46-35-16-9-7-14-31(35)39(32-21-19-28(41)26-36(32)50(46,48)49)44-23-10-3-2-5-17-37(47)42-22-11-4-12-24-43-38-29-13-6-8-15-33(29)45-34-25-27(40)18-20-30(34)38/h7,9,14,16,18-21,25-26,39,44H,2-6,8,10-13,15,17,22-24H2,1H3,(H,42,47)(H,43,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430523 (CHEMBL2335970) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C40H39ClN4/c41-32-25-23-31(24-26-32)40-44-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)45(40)28-14-2-1-13-27-42-38-33-19-9-11-21-35(33)43-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430532 (CHEMBL2336430) Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C43H43N5/c44-31-32-25-27-35(28-26-32)43-47-40(33-17-7-5-8-18-33)42(34-19-9-6-10-20-34)48(43)30-16-4-2-1-3-15-29-45-41-36-21-11-13-23-38(36)46-39-24-14-12-22-37(39)41/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430519 (CHEMBL2335974) Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H39N5/c42-29-30-23-25-33(26-24-30)41-45-38(31-15-5-3-6-16-31)40(32-17-7-4-8-18-32)46(41)28-14-2-1-13-27-43-39-34-19-9-11-21-36(34)44-37-22-12-10-20-35(37)39/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193514 (CHEMBL3897530) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C39H47Cl2N5O3S/c1-46-35-16-9-7-14-31(35)39(32-21-19-28(41)26-36(32)50(46,48)49)44-23-10-3-2-5-17-37(47)42-22-11-4-12-24-43-38-29-13-6-8-15-33(29)45-34-25-27(40)18-20-30(34)38/h7,9,14,16,18-21,25-26,39,44H,2-6,8,10-13,15,17,22-24H2,1H3,(H,42,47)(H,43,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193534 (CHEMBL3934708) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C40H49Cl2N5O3S/c1-47-36-17-10-8-15-32(36)40(33-22-20-29(42)27-37(33)51(47,49)50)45-25-12-3-2-6-18-38(48)43-23-11-4-5-13-24-44-39-30-14-7-9-16-34(30)46-35-26-28(41)19-21-31(35)39/h8,10,15,17,19-22,26-27,40,45H,2-7,9,11-14,16,18,23-25H2,1H3,(H,43,48)(H,44,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430522 (CHEMBL2335971) Show SMILES Clc1cccc(c1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C40H39ClN4/c41-32-21-15-20-31(28-32)40-44-37(29-16-5-3-6-17-29)39(30-18-7-4-8-19-30)45(40)27-14-2-1-13-26-42-38-33-22-9-11-24-35(33)43-36-25-12-10-23-34(36)38/h3-9,11,15-22,24,28H,1-2,10,12-14,23,25-27H2,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430520 (CHEMBL2335973) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H42N4O/c1-46-33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,2-3,11,13-15,21,23,28-29H2,1H3,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193531 (CHEMBL3932283) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C38H45Cl2N5O3S/c1-45-34-15-8-6-13-30(34)38(31-20-18-27(40)25-35(31)49(45,47)48)43-22-9-3-2-4-16-36(46)41-21-10-11-23-42-37-28-12-5-7-14-32(28)44-33-24-26(39)17-19-29(33)37/h6,8,13,15,17-20,24-25,38,43H,2-5,7,9-12,14,16,21-23H2,1H3,(H,41,46)(H,42,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430529 (CHEMBL2336432) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41ClN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8963 (CHEMBL32823 | Homodimeric Tacrine Analog 3b | N-[7...) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430528 (CHEMBL2336434) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193534 (CHEMBL3934708) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C40H49Cl2N5O3S/c1-47-36-17-10-8-15-32(36)40(33-22-20-29(42)27-37(33)51(47,49)50)45-25-12-3-2-6-18-38(48)43-23-11-4-5-13-24-44-39-30-14-7-9-16-34(30)46-35-26-28(41)19-21-31(35)39/h8,10,15,17,19-22,26-27,40,45H,2-7,9,11-14,16,18,23-25H2,1H3,(H,43,48)(H,44,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430536 (CHEMBL2335980) Show SMILES C(CCCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C50H46N4/c1(3-23-37-53-47(41-29-15-7-16-30-41)45(39-25-11-5-12-26-39)51-49(53)43-33-19-9-20-34-43)2-4-24-38-54-48(42-31-17-8-18-32-42)46(40-27-13-6-14-28-40)52-50(54)44-35-21-10-22-36-44/h5-22,25-36H,1-4,23-24,37-38H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193529 (CHEMBL3950031) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C36H41Cl2N5O3S/c1-43-32-13-8-6-11-28(32)36(29-18-16-25(38)23-33(29)47(43,45)46)40-19-9-3-2-4-14-34(44)39-20-21-41-35-26-10-5-7-12-30(26)42-31-22-24(37)15-17-27(31)35/h6,8,11,13,15-18,22-23,36,40H,2-5,7,9-10,12,14,19-21H2,1H3,(H,39,44)(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193531 (CHEMBL3932283) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C38H45Cl2N5O3S/c1-45-34-15-8-6-13-30(34)38(31-20-18-27(40)25-35(31)49(45,47)48)43-22-9-3-2-4-16-36(46)41-21-10-11-23-42-37-28-12-5-7-14-32(28)44-33-24-26(39)17-19-29(33)37/h6,8,13,15,17-20,24-25,38,43H,2-5,7,9-12,14,16,21-23H2,1H3,(H,41,46)(H,42,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193530 (CHEMBL3907702) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C37H43Cl2N5O3S/c1-44-33-14-8-6-12-29(33)37(30-19-17-26(39)24-34(30)48(44,46)47)41-20-9-3-2-4-15-35(45)40-21-10-22-42-36-27-11-5-7-13-31(27)43-32-23-25(38)16-18-28(32)36/h6,8,12,14,16-19,23-24,37,41H,2-5,7,9-11,13,15,20-22H2,1H3,(H,40,45)(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193541 (CHEMBL3970840) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C37H44ClN5O3S/c1-43-33-18-10-7-15-29(33)37(30-21-20-26(38)25-34(30)47(43,45)46)40-22-11-3-2-4-19-35(44)39-23-12-24-41-36-27-13-5-8-16-31(27)42-32-17-9-6-14-28(32)36/h5,7-8,10,13,15-16,18,20-21,25,37,40H,2-4,6,9,11-12,14,17,19,22-24H2,1H3,(H,39,44)(H,41,42)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50193535 (CHEMBL3925814) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C41H51Cl2N5O3S/c1-48-37-18-11-9-16-33(37)41(34-23-21-30(43)28-38(34)52(48,50)51)46-26-14-6-3-7-19-39(49)44-24-12-4-2-5-13-25-45-40-31-15-8-10-17-35(31)47-36-27-29(42)20-22-32(36)40/h9,11,16,18,20-23,27-28,41,46H,2-8,10,12-15,17,19,24-26H2,1H3,(H,44,49)(H,45,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430521 (CHEMBL2335972) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C40H39FN4/c41-32-25-23-31(24-26-32)40-44-37(29-15-5-3-6-16-29)39(30-17-7-4-8-18-30)45(40)28-14-2-1-13-27-42-38-33-19-9-11-21-35(33)43-36-22-12-10-20-34(36)38/h3-9,11,15-19,21,23-26H,1-2,10,12-14,20,22,27-28H2,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430534 (CHEMBL2336428) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430524 (CHEMBL2335969) Show SMILES C(CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)CCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C40H40N4/c1(16-28-41-38-33-24-12-14-26-35(33)42-36-27-15-13-25-34(36)38)2-17-29-44-39(31-20-8-4-9-21-31)37(30-18-6-3-7-19-30)43-40(44)32-22-10-5-11-23-32/h3-12,14,18-24,26H,1-2,13,15-17,25,27-29H2,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430529 (CHEMBL2336432) Show SMILES Clc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41ClN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50300153 ((2R)-9-amino-2-methyl-2,3-dihydro-1H-cyclopenta[b]...) Show SMILES C[C@H]1Cc2nc3ccccc3c(N)c2C1 |r| Show InChI InChI=1S/C13H14N2/c1-8-6-10-12(7-8)15-11-5-3-2-4-9(11)13(10)14/h2-5,8H,6-7H2,1H3,(H2,14,15)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE from rat cortex by Ellman assay				Eur J Med Chem 45: 526-35 (2010) Article DOI: 10.1016/j.ejmech.2009.10.039 BindingDB Entry DOI: 10.7270/Q27W6C85
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430527 (CHEMBL2335966) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193532 (CHEMBL3897721) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C41H52ClN5O3S/c1-47-37-22-13-10-19-33(37)41(34-25-24-30(42)29-38(34)51(47,49)50)45-28-16-6-3-7-23-39(48)43-26-14-4-2-5-15-27-44-40-31-17-8-11-20-35(31)46-36-21-12-9-18-32(36)40/h8,10-11,13,17,19-20,22,24-25,29,41,45H,2-7,9,12,14-16,18,21,23,26-28H2,1H3,(H,43,48)(H,44,46)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430528 (CHEMBL2336434) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41FN4/c42-33-26-24-32(25-27-33)41-45-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)46(41)29-15-3-1-2-14-28-43-39-34-20-10-12-22-36(34)44-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430527 (CHEMBL2335966) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H44N4O/c1-47-34-27-25-33(26-28-34)42-45-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)46(42)30-16-4-2-3-15-29-43-40-35-21-11-13-23-37(35)44-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,2-4,12,14-16,22,24,29-30H2,1H3,(H,43,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430525 (CHEMBL2335968) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430525 (CHEMBL2335968) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C41H41N5O2/c47-46(48)33-26-24-32(25-27-33)41-44-38(30-16-6-4-7-17-30)40(31-18-8-5-9-19-31)45(41)29-15-3-1-2-14-28-42-39-34-20-10-12-22-36(34)43-37-23-13-11-21-35(37)39/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,42,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50430530 (CHEMBL2336431) Show SMILES C(CCCNc1c2CCCCc2nc2ccccc12)CCCn1c(nc(c1-c1ccccc1)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C41H42N4/c1(2-17-29-42-39-34-25-13-15-27-36(34)43-37-28-16-14-26-35(37)39)3-18-30-45-40(32-21-9-5-10-22-32)38(31-19-7-4-8-20-31)44-41(45)33-23-11-6-12-24-33/h4-13,15,19-25,27H,1-3,14,16-18,26,28-30H2,(H,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of AChE in Wistar rat brain cortex using acetylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50193528 (CHEMBL3979082) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCNc2c3CCCCc3nc3ccccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C36H42ClN5O3S/c1-42-32-17-10-7-14-28(32)36(29-20-19-25(37)24-33(29)46(42,44)45)39-21-11-3-2-4-18-34(43)38-22-23-40-35-26-12-5-8-15-30(26)41-31-16-9-6-13-27(31)35/h5,7-8,10,12,14-15,17,19-20,24,36,39H,2-4,6,9,11,13,16,18,21-23H2,1H3,(H,38,43)(H,40,41)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50430533 (CHEMBL2336429) Show SMILES COc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C43H46N4O/c1-48-35-28-26-34(27-29-35)43-46-40(32-18-8-6-9-19-32)42(33-20-10-7-11-21-33)47(43)31-17-5-3-2-4-16-30-44-41-36-22-12-14-24-38(36)45-39-25-15-13-23-37(39)41/h6-12,14,18-22,24,26-29H,2-5,13,15-17,23,25,30-31H2,1H3,(H,44,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair

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