Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50003281   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468986 (CHEMBL4282163) Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCCC2)c1 Show InChI InChI=1S/C11H16N2O/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468986 (CHEMBL4282163) Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCCC2)c1 Show InChI InChI=1S/C11H16N2O/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk plo...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk plo...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.74E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Non-competitive inhibition of recombinant human AChE using varying levels of acetylthiocholine as substrate				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	3.77E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Non-competitive inhibition of AChE in human erythrocytes using varying levels of acetylthiocholine as substrate measured for 1 min by Lineweaver-burk...				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468986 (CHEMBL4282163) Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCCC2)c1 Show InChI InChI=1S/C11H16N2O/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8,12H2	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	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine as substrate by DTNB reagent based assay				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50455616 (CHEMBL4215993) Show SMILES CCN(CC)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H16N2O4S2/c1-2-16-4-3-13-7-9-5-8-6-10(19(12,14)15)17-11(8)18-9/h5-6,13H,2-4,7H2,1H3,(H2,12,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468994 (CHEMBL4280848) Show SMILES Cl.Cl.CCCCN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C12H20N2O/c1-3-4-7-14(2)9-10-8-11(13)5-6-12(10)15/h5-6,8,15H,3-4,7,9,13H2,1-2H3	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	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468990 (CHEMBL4285213) Show SMILES Cl.Cl.CCCN(CCC)Cc1cc(N)ccc1O Show InChI InChI=1S/C13H22N2O/c1-3-7-15(8-4-2)10-11-9-12(14)5-6-13(11)16/h5-6,9,16H,3-4,7-8,10,14H2,1-2H3	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	1.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468997 (CHEMBL4294906) Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCOCC2)c1 Show InChI InChI=1S/C11H16N2O2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8,12H2	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	2.71E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468993 (CHEMBL4292574) Show SMILES Cl.Cl.CNCc1cc(N)ccc1O Show InChI InChI=1S/C8H12N2O/c1-10-5-6-4-7(9)2-3-8(6)11/h2-4,10-11H,5,9H2,1H3	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	3.34E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468998 (CHEMBL4288558) Show SMILES Cl.Cl.Nc1ccc(O)c(CN2CCCCC2)c1 Show InChI InChI=1S/C12H18N2O/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468989 (CHEMBL4286677) Show SMILES Cl.Cl.Nc1ccc(O)c(Cn2ccnc2)c1 Show InChI InChI=1S/C10H11N3O/c11-9-1-2-10(14)8(5-9)6-13-4-3-12-7-13/h1-5,7,14H,6,11H2	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	4.83E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468991 (CHEMBL4283986) Show SMILES Cl.Cl.CCCCCN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C13H22N2O/c1-3-4-5-8-15(2)10-11-9-12(14)6-7-13(11)16/h6-7,9,16H,3-5,8,10,14H2,1-2H3	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	8.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468988 (CHEMBL4292399) Show SMILES Cl.Cl.Nc1ccc(O)c(Cn2cccn2)c1 Show InChI InChI=1S/C10H11N3O/c11-9-2-3-10(14)8(6-9)7-13-5-1-4-12-13/h1-6,14H,7,11H2	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	8.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468999 (CHEMBL4284261) Show SMILES Cl.Cl.CCN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C10H16N2O/c1-3-12(2)7-8-6-9(11)4-5-10(8)13/h4-6,13H,3,7,11H2,1-2H3	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	9.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468996 (CHEMBL4282360) Show SMILES Cl.Cl.CCCCCCN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C14H24N2O/c1-3-4-5-6-9-16(2)11-12-10-13(15)7-8-14(12)17/h7-8,10,17H,3-6,9,11,15H2,1-2H3	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	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468987 (CHEMBL4288742) Show SMILES Cl.Cl.CCCN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C11H18N2O/c1-3-6-13(2)8-9-7-10(12)4-5-11(9)14/h4-5,7,14H,3,6,8,12H2,1-2H3	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	1.15E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468992 (CHEMBL4276921) Show SMILES Cl.Cl.CN(C)Cc1cc(N)ccc1O Show InChI InChI=1S/C9H14N2O/c1-11(2)6-7-5-8(10)3-4-9(7)12/h3-5,12H,6,10H2,1-2H3	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	1.54E+6	n/a	n/a	n/a	n/a	n/a	n/a
TNO Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine as substrate measured for 1 min				Eur J Med Chem 157: 151-160 (2018) Article DOI: 10.1016/j.ejmech.2018.08.016 BindingDB Entry DOI: 10.7270/Q2FF3W3C
					More data for this Ligand-Target Pair