Compile Data Set for Download or QSAR

Found 193 hits with Last Name = 'fato' and Initial = 'r'   

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 (Electrophorus electricus (Electric eel))	BDBM50278990 (CHEMBL4164524) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C18H21Cl2N3O2/c19-16-11-15(12-17(20)23-16)22-18(24)25-10-6-2-5-9-21-13-14-7-3-1-4-8-14/h1,3-4,7-8,11-12,21H,2,5-6,9-10,13H2,(H,22,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278986 (CHEMBL4161860) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1ccccc1 Show InChI InChI=1S/C19H23Cl2N3O/c20-17-12-16(13-18(21)24-17)19(25)23-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278968 (CHEMBL4164186) Show SMILES Clc1cc(NC(=O)OCCCCCNCc2c[nH]c3ccccc23)cc(Cl)n1 Show InChI InChI=1S/C20H22Cl2N4O2/c21-18-10-15(11-19(22)26-18)25-20(27)28-9-5-1-4-8-23-12-14-13-24-17-7-3-2-6-16(14)17/h2-3,6-7,10-11,13,23-24H,1,4-5,8-9,12H2,(H,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278969 (CHEMBL4160790) Show SMILES Clc1cc(NC(=O)OCCCCCCNCc2ccccc2)cc(Cl)n1 Show InChI InChI=1S/C19H23Cl2N3O2/c20-17-12-16(13-18(21)24-17)23-19(25)26-11-7-2-1-6-10-22-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,22H,1-2,6-7,10-11,14H2,(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278984 (CHEMBL4168710) Show SMILES COc1ccccc1CNCCCCCOC(=O)Nc1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C19H23Cl2N3O3/c1-26-16-8-4-3-7-14(16)13-22-9-5-2-6-10-27-19(25)23-15-11-17(20)24-18(21)12-15/h3-4,7-8,11-12,22H,2,5-6,9-10,13H2,1H3,(H,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278970 (CHEMBL4175914) Show SMILES COc1ccccc1CNCCCCCCNC(=O)c1cc(Cl)nc(Cl)c1 Show InChI InChI=1S/C20H25Cl2N3O2/c1-27-17-9-5-4-8-15(17)14-23-10-6-2-3-7-11-24-20(26)16-12-18(21)25-19(22)13-16/h4-5,8-9,12-13,23H,2-3,6-7,10-11,14H2,1H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	355	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50278983 (CHEMBL4172510) Show SMILES Brc1cnccc1NC(=O)OCCCCCNCc1ccccc1 Show InChI InChI=1S/C18H22BrN3O2/c19-16-14-21-11-9-17(16)22-18(23)24-12-6-2-5-10-20-13-15-7-3-1-4-8-15/h1,3-4,7-9,11,14,20H,2,5-6,10,12-13H2,(H,21,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	404	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278487 (CHEMBL3585376) Show SMILES CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O |t:13| Show InChI InChI=1S/C27H21NO6/c1-28(2)9-10-32-25-13-18-7-8-19(14-23(18)34-27(25)31)33-24-15-22(29)20-11-16-5-3-4-6-17(16)12-21(20)26(24)30/h3-8,11-15H,9-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of 125-I echistatin from Vitronectin receptor (alpha v beta3)				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278488 (CHEMBL4159241) Show SMILES C1CCN(C1)C1(CCCCC1)c1ccc(s1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C22H26N2S/c1-2-11-22(12-3-1,24-14-4-5-15-24)21-9-8-20(25-21)18-6-7-19-17(16-18)10-13-23-19/h6-10,13,16,23H,1-5,11-12,14-15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278486 (CHEMBL4160100) Show SMILES Oc1cccc2C(=O)c3c(oc4c3c(=O)oc3ccccc43)C(=O)c12 Show InChI InChI=1S/C19H8O6/c20-10-6-3-5-9-12(10)16(22)18-13(15(9)21)14-17(25-18)8-4-1-2-7-11(8)24-19(14)23/h1-7,20H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Mixed-type inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione d...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM77970 (3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...) Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12 Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothione disulfide as...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
					More data for this Ligand-Target Pair
Trypanothione reductase (Trypanosoma cruzi)	BDBM50278489 (CHEMBL4170316) Show SMILES COc1cccc2C(=O)c3c(oc4c3c(=O)oc3ccccc43)C(=O)c12 Show InChI InChI=1S/C20H10O6/c1-24-12-8-4-6-10-13(12)17(22)19-14(16(10)21)15-18(26-19)9-5-2-3-7-11(9)25-20(15)23/h2-8H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Non-competitive inhibition of Trypanosoma cruzi trypanothione reductase assessed as reduction in NADPH consumption using varying levels of trypanothi...				Eur J Med Chem 141: 138-148 (2017) Article DOI: 10.1016/j.ejmech.2017.10.005 BindingDB Entry DOI: 10.7270/Q2JD50B3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10512 (CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...) Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1 Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.253	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				J Med Chem 52: 7883-6 (2009) Article DOI: 10.1021/jm901123n BindingDB Entry DOI: 10.7270/Q2571C2D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028685 (CHEMBL3356536) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C25H22ClN3O3/c26-14-8-9-16-19(12-14)29-18-6-2-1-4-15(18)24(16)28-11-10-27-20-13-22(31)23-17(25(20)32)5-3-7-21(23)30/h3,5,7-9,12-13,27,30H,1-2,4,6,10-11H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50231951 (2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE by Ellman's method				J Med Chem 52: 7883-6 (2009) Article DOI: 10.1021/jm901123n BindingDB Entry DOI: 10.7270/Q2571C2D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50231951 (2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamin...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-19-11-13-21-37(31)45-3)25-17-9-7-15-23-39-33-27-36(44)34(28-35(33)43)40-24-16-8-10-18-26-42(6-2)30-32-20-12-14-22-38(32)46-4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028681 (CHEMBL3356532) Show SMILES Clc1ccc2c(NCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:10| Show InChI InChI=1S/C25H22ClN3O2/c26-15-9-10-19-21(13-15)29-20-8-4-3-7-18(20)24(19)28-12-11-27-22-14-23(30)16-5-1-2-6-17(16)25(22)31/h1-2,5-6,9-10,13-14,27H,3-4,7-8,11-12H2,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221914 (2,5-bis{3-[ethyl(2-methoxybenzyl)amino]propylamino...) Show SMILES CCN(CCCNc1cc(O)c(cc1O)N=CCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:15.15| Show InChI InChI=1S/C32H44N4O4/c1-5-35(23-25-13-7-9-15-31(25)39-3)19-11-17-33-27-21-30(38)28(22-29(27)37)34-18-12-20-36(6-2)24-26-14-8-10-16-32(26)40-4/h7-10,13-17,21-22,34,37-38H,5-6,11-12,18-20,23-24H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221909 (2,5-bis{5-[ethyl(2-methoxybenzyl)amino]pentylamino...) Show SMILES CCN(CCCCCNc1cc(O)c(cc1O)N=CCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:17.17| Show InChI InChI=1S/C36H52N4O4/c1-5-39(27-29-17-9-11-19-35(29)43-3)23-15-7-13-21-37-31-25-34(42)32(26-33(31)41)38-22-14-8-16-24-40(6-2)28-30-18-10-12-20-36(30)44-4/h9-12,17-21,25-26,38,41-42H,5-8,13-16,22-24,27-28H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221918 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1c(O)c(Br)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Br)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54Br2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221908 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1c(O)c(Cl)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1Cl)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54Cl2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028691 (CHEMBL3356951) Show SMILES ClC1=C(NCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C25H21Cl2N3O2/c26-14-9-10-18-20(13-14)30-19-8-4-3-7-17(19)22(18)28-11-12-29-23-21(27)24(31)15-5-1-2-6-16(15)25(23)32/h1-2,5-6,9-10,13,29H,3-4,7-8,11-12H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221926 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1c(O)c(F)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(O)c1F)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C38H54F2N4O4/c1-5-43(27-29-19-11-13-21-31(29)47-3)25-17-9-7-15-23-41-35-33(39)38(46)36(34(40)37(35)45)42-24-16-8-10-18-26-44(6-2)28-30-20-12-14-22-32(30)48-4/h11-14,19-23,42,45-46H,5-10,15-18,24-28H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028682 (CHEMBL3356533) Show SMILES Clc1ccc2c(NCCCNC3=CC(=O)c4ccccc4C3=O)c3CCCCc3nc2c1 |t:11| Show InChI InChI=1S/C26H24ClN3O2/c27-16-10-11-20-22(14-16)30-21-9-4-3-8-19(21)25(20)29-13-5-12-28-23-15-24(31)17-6-1-2-7-18(17)26(23)32/h1-2,6-7,10-11,14-15,28H,3-5,8-9,12-13H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028679 (CHEMBL3356530) Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28)	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	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8987 (6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chl...) Show SMILES Nc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C13H13ClN2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h5-7H,1-4H2,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221929 (2,5-bis{7-[ethyl(2-methoxybenzyl)amino]heptylamino...) Show SMILES CCN(CCCCCCCNc1cc(O)c(cc1O)N=CCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:19.19| Show InChI InChI=1S/C40H60N4O4/c1-5-43(31-33-21-13-15-23-39(33)47-3)27-19-11-7-9-17-25-41-35-29-38(46)36(30-37(35)45)42-26-18-10-8-12-20-28-44(6-2)32-34-22-14-16-24-40(34)48-4/h13-16,21-25,29-30,42,45-46H,5-12,17-20,26-28,31-32H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028692 (CHEMBL3356952) Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3cc(Cl)ccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H23Cl2N3O2/c27-15-10-11-19-21(14-15)31-20-9-4-3-8-18(20)23(19)29-12-5-13-30-24-22(28)25(32)16-6-1-2-7-17(16)26(24)33/h1-2,6-7,10-11,14,30H,3-5,8-9,12-13H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028686 (CHEMBL3356537) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:31| Show InChI InChI=1S/C26H24ClN3O3/c27-15-9-10-17-20(13-15)30-19-7-2-1-5-16(19)25(17)29-12-4-11-28-21-14-23(32)24-18(26(21)33)6-3-8-22(24)31/h3,6,8-10,13-14,28,31H,1-2,4-5,7,11-12H2,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221922 (2,5-bis{6-[ethyl(2-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1c(C)c(O)c(N=CCCCCCN(CC)Cc2ccccc2OC)c(C)c1O)Cc1ccccc1OC |w:16.15| Show InChI InChI=1S/C40H60N4O4/c1-7-43(29-33-21-13-15-23-35(33)47-5)27-19-11-9-17-25-41-37-31(3)40(46)38(32(4)39(37)45)42-26-18-10-12-20-28-44(8-2)30-34-22-14-16-24-36(34)48-6/h13-16,21-25,42,45-46H,7-12,17-20,26-30H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10512 (CHEMBL194823 | N-{3-[(6-chloro-1,2,3,4-tetrahydroa...) Show SMILES Clc1ccc2c(NCCCNC(=O)CCCCC3CCSS3)c3CCCCc3nc2c1 Show InChI InChI=1S/C24H32ClN3OS2/c25-17-10-11-20-22(16-17)28-21-8-3-2-7-19(21)24(20)27-14-5-13-26-23(29)9-4-1-6-18-12-15-30-31-18/h10-11,16,18H,1-9,12-15H2,(H,26,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE by Ellman's method				J Med Chem 52: 7883-6 (2009) Article DOI: 10.1021/jm901123n BindingDB Entry DOI: 10.7270/Q2571C2D
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221905 (2,5-bis{6-[isopropyl(2-methoxybenzyl)amino]hexylam...) Show SMILES COc1ccccc1CN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(Cc1ccccc1OC)C(C)C)C(C)C |w:25.26| Show InChI InChI=1S/C40H60N4O4/c1-31(2)43(29-33-19-11-13-21-39(33)47-5)25-17-9-7-15-23-41-35-27-38(46)36(28-37(35)45)42-24-16-8-10-18-26-44(32(3)4)30-34-20-12-14-22-40(34)48-6/h11-14,19-23,27-28,31-32,42,45-46H,7-10,15-18,24-26,29-30H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221910 (2,5-bis{6-[ethyl(3-methoxybenzyl)amino]hexylamino}...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccc(OC)c1)Cc1cccc(OC)c1 |w:18.18| Show InChI InChI=1S/C38H56N4O4/c1-5-41(29-31-17-15-19-33(25-31)45-3)23-13-9-7-11-21-39-35-27-38(44)36(28-37(35)43)40-22-12-8-10-14-24-42(6-2)30-32-18-16-20-34(26-32)46-4/h15-21,25-28,40,43-44H,5-14,22-24,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221921 (2,5-bis{4-[ethyl(2-methoxybenzyl)amino]butylamino}...) Show SMILES CCN(CCCCNc1cc(O)c(cc1O)N=CCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC |w:16.16| Show InChI InChI=1S/C34H48N4O4/c1-5-37(25-27-15-7-9-17-33(27)41-3)21-13-11-19-35-29-23-32(40)30(24-31(29)39)36-20-12-14-22-38(6-2)26-28-16-8-10-18-34(28)42-4/h7-10,15-19,23-24,36,39-40H,5-6,11-14,20-22,25-26H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028679 (CHEMBL3356530) Show SMILES O=C1C=C(NCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C25H23N3O2/c29-23-15-22(25(30)17-8-2-1-7-16(17)23)26-13-14-27-24-18-9-3-5-11-20(18)28-21-12-6-4-10-19(21)24/h1-3,5,7-9,11,15,26H,4,6,10,12-14H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028684 (CHEMBL3356535) Show SMILES Oc1cccc2C(=O)C(NCCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:30| Show InChI InChI=1S/C26H25N3O3/c30-22-12-5-9-18-24(22)23(31)15-21(26(18)32)27-13-6-14-28-25-16-7-1-3-10-19(16)29-20-11-4-2-8-17(20)25/h1,3,5,7,9-10,12,15,27,30H,2,4,6,8,11,13-14H2,(H,28,29)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221932 (2,5-bis(6-{ethyl[2-(2-methoxyphenyl)ethyl]amino}he...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)CCc1ccccc1OC)CCc1ccccc1OC |w:18.18| Show InChI InChI=1S/C40H60N4O4/c1-5-43(29-23-33-19-11-13-21-39(33)47-3)27-17-9-7-15-25-41-35-31-38(46)36(32-37(35)45)42-26-16-8-10-18-28-44(6-2)30-24-34-20-12-14-22-40(34)48-4/h11-14,19-22,25,31-32,42,45-46H,5-10,15-18,23-24,26-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028680 (CHEMBL3356531) Show SMILES O=C1C=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc12 |t:2| Show InChI InChI=1S/C26H25N3O2/c30-24-16-23(26(31)18-9-2-1-8-17(18)24)27-14-7-15-28-25-19-10-3-5-12-21(19)29-22-13-6-4-11-20(22)25/h1-3,5,8-10,12,16,27H,4,6-7,11,13-15H2,(H,28,29)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028683 (CHEMBL3356534) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10620 ((S)-3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)...) Show SMILES [H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1 Show InChI InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50028694 (CHEMBL3356954) Show SMILES ClC1=C(NCCCNc2c3CCCCc3nc3ccccc23)C(=O)c2ccccc2C1=O |c:1| Show InChI InChI=1S/C26H24ClN3O2/c27-22-24(26(32)17-9-2-1-8-16(17)25(22)31)29-15-7-14-28-23-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)23/h1-3,5,8-10,12,29H,4,6-7,11,13-15H2,(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50145903 (CHEMBL3763728) Show SMILES O\C(\C=C\c1ccc(OCc2ccccc2)cc1)=C/C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C33H28O4/c34-30(17-11-26-13-19-32(20-14-26)36-24-28-7-3-1-4-8-28)23-31(35)18-12-27-15-21-33(22-16-27)37-25-29-9-5-2-6-10-29/h1-23,34H,24-25H2/b17-11+,18-12+,30-23-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum - University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition incubated for 15 mins by FRET as...				J Med Chem 59: 531-44 (2016) Article DOI: 10.1021/acs.jmedchem.5b00894 BindingDB Entry DOI: 10.7270/Q27P9183
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50028683 (CHEMBL3356534) Show SMILES Oc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4ccccc34)=CC(=O)c12 |c:29| Show InChI InChI=1S/C25H23N3O3/c29-21-11-5-8-17-23(21)22(30)14-20(25(17)31)26-12-13-27-24-15-6-1-3-9-18(15)28-19-10-4-2-7-16(19)24/h1,3,5-6,8-9,11,14,26,29H,2,4,7,10,12-13H2,(H,27,28)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Alma Mater Studiorum-University of Bologna Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE after 5 mins by Ellman method				J Med Chem 57: 8576-89 (2014) Article DOI: 10.1021/jm5010804 BindingDB Entry DOI: 10.7270/Q25H7HVD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221920 (CHEMBL230434 | N,N'-bis{6-[ethyl(2-methoxybenzyl)a...) Show SMILES CCN(CCCCCCNc1ccc(NCCCCCCN(CC)Cc2ccccc2OC)cc1)Cc1ccccc1OC Show InChI InChI=1S/C38H58N4O2/c1-5-41(31-33-19-11-13-21-37(33)43-3)29-17-9-7-15-27-39-35-23-25-36(26-24-35)40-28-16-8-10-18-30-42(6-2)32-34-20-12-14-22-38(34)44-4/h11-14,19-26,39-40H,5-10,15-18,27-32H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					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	46	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	46	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair				3D Structure (crystal)

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