Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'rashidi' and Initial = 'mr'   

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))	BDBM50564199 (CHEMBL4800260) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non competitive inhibition of human plasma BuChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564203 (CHEMBL4791075) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non competitive inhibition of human plasma BuChE using varying levels of butyrylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564199 (CHEMBL4800260) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Non competitive inhibition of human erythrocyte AChE using varying levels of acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564203 (CHEMBL4791075) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human erythrocyte AChE using varying levels of acetylthiocholine iodide as substrate by Lineweaver-Burk plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.53E+3	n/a	1.45E+4	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM24778 (2-methyl-1,4-dihydronaphthalene-1,4-dione | 2-meth...) Show SMILES CC1=CC(=O)c2ccccc2C1=O |t:1| Show InChI InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.23E+3	n/a	3.18E+4	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175349 (4'-Isopropyl Benzofuranone (4'-CH(CH3)2) |...) Show SMILES CC(C)c1cccc2OC(=O)Cc12 Show InChI InChI=1S/C11H12O2/c1-7(2)8-4-3-5-10-9(8)6-11(12)13-10/h3-5,7H,6H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80E+4	n/a	4.94E+4	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175350 (2',3',4'-three-Hydroxyl Benzofuranone ...) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(O)c(O)c1O Show InChI InChI=1S/C15H10O6/c16-8-2-3-9-11(6-8)21-12(14(9)19)5-7-1-4-10(17)15(20)13(7)18/h1-6,16-18,20H/b12-5-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.21E+4	n/a	6.57E+4	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175351 (3',4',5'-three-Hydroxyl Benzofuranone ...) Show SMILES Oc1ccc2C(=O)\C(Oc2c1)=C\c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C15H10O6/c16-8-1-2-9-12(6-8)21-13(14(9)19)5-7-3-10(17)15(20)11(18)4-7/h1-6,16-18,20H/b13-5-	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175347 (2',4'-di-Hydroxy Benzofuranone (2',4&#...) Show SMILES OC1Oc2cccc(O)c2C1=O Show InChI InChI=1S/C8H6O4/c9-4-2-1-3-5-6(4)7(10)8(11)12-5/h1-3,8-9,11H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40E+5	n/a	2.01E+5	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM19461 (α-CA inhibitor, 5 | 5,7-dihydroxy-2-(4-hydrox...) Show SMILES Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1 Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.48E+5	n/a	2.12E+5	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175348 (2',5'-di-Hydroxy Benzofuranone (2',5&#...) Show SMILES OC1Oc2ccc(O)cc2C1=O Show InChI InChI=1S/C8H6O4/c9-4-1-2-6-5(3-4)7(10)8(11)12-6/h1-3,8-9,11H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+5	n/a	1.15E+5	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175345 (4'-Nitro Benzofuranone (4'-NO2) | 6-Hydrox...) Show SMILES [O-][N+](=O)c1cccc2OC(=O)Cc12 Show InChI InChI=1S/C8H5NO4/c10-8-4-5-6(9(11)12)2-1-3-7(5)13-8/h1-3H,4H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+5	n/a	1.71E+5	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175344 (2'-Nitro Benzofuranone (2'-NO2) | 6-Hydrox...) Show SMILES [O-][N+](=O)C1Oc2ccccc2C1=O Show InChI InChI=1S/C8H5NO4/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4,8H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.53E+5	n/a	1.93E+5	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Aldehyde oxidase 1 (Cavia porcellus (Guinea pig))	BDBM175346 (2'-Hydroxy Benzofuranone (2'-OH) | 6-Hydro...) Show SMILES OC1Oc2ccccc2C1=O Show InChI InChI=1S/C8H6O3/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4,8,10H	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Kermanshah University of Medical Sciences					Assay Description Guinea pig AO activity was assayed spectrophotometrically using phenanthridine as a substrate at 322 nm. All spectrophotometric determinations were c...				Bioorg Chem 64: 74-84 (2016) Article DOI: 10.1016/j.bioorg.2015.12.004 BindingDB Entry DOI: 10.7270/Q2MP522Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564213 (CHEMBL4780352) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(OCCCCN[N+]4(C)CCN(CC4)c4ccc(\C=C5/Cc6cc(OC)c(OC)cc6C5=O)cc4)cc3)C(=O)c2cc1OC Show InChI	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	0	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					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	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564203 (CHEMBL4791075) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC Show InChI	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	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564198 (CHEMBL4786658) Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N3CCN(C)CC3)C(=O)c2cc1OC Show InChI	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	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564199 (CHEMBL4800260) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI	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	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564205 (CHEMBL4784191) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccn4)CC3)C(=O)c2cc1OC Show InChI	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	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564203 (CHEMBL4791075) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Cl)c4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564210 (CHEMBL4798336) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(CC=C)CC3)C(=O)c2cc1OC Show InChI	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	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564199 (CHEMBL4800260) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564204 (CHEMBL4787855) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC Show InChI	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	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564208 (CHEMBL4797677) Show SMILES [Br-].CCCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	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	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564207 (CHEMBL4776999) Show SMILES [Br-].CCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	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	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564202 (CHEMBL4794208) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4Br)CC3)C(=O)c2cc1OC Show InChI	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	540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564201 (CHEMBL4778690) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Br)c4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564213 (CHEMBL4780352) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(OCCCCN[N+]4(C)CCN(CC4)c4ccc(\C=C5/Cc6cc(OC)c(OC)cc6C5=O)cc4)cc3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564211 (CHEMBL4790642) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(CCO)CC3)C(=O)c2cc1OC Show InChI	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564202 (CHEMBL4794208) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4Br)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564201 (CHEMBL4778690) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4cccc(Br)c4)CC3)C(=O)c2cc1OC Show InChI	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	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564206 (CHEMBL4794690) Show SMILES [Br-].CCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	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	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564204 (CHEMBL4787855) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccc4Cl)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564200 (CHEMBL4780628) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccc(Br)cc4)CC3)C(=O)c2cc1OC Show InChI	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	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway 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	DrugBank PDB Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50564205 (CHEMBL4784191) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccccn4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564208 (CHEMBL4797677) Show SMILES [Br-].CCCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564209 (CHEMBL4794354) Show SMILES [Br-].CCCCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564209 (CHEMBL4794354) Show SMILES [Br-].CCCCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	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	4.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564200 (CHEMBL4780628) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(Cc4ccc(Br)cc4)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564211 (CHEMBL4790642) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(CCO)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564212 (CHEMBL4794250) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(OCCN[N+]4(C)CCN(CC4)c4ccc(\C=C5/Cc6cc(OC)c(OC)cc6C5=O)cc4)cc3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564206 (CHEMBL4794690) Show SMILES [Br-].CCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564207 (CHEMBL4776999) Show SMILES [Br-].CCCC[N+]1(C)CCN(CC1)c1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50564212 (CHEMBL4794250) Show SMILES [Br-].COc1cc2C\C(=C/c3ccc(OCCN[N+]4(C)CCN(CC4)c4ccc(\C=C5/Cc6cc(OC)c(OC)cc6C5=O)cc4)cc3)C(=O)c2cc1OC Show InChI	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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50564210 (CHEMBL4798336) Show SMILES [Cl-].COc1cc2C\C(=C/c3ccc(cc3)N3CC[N+](C)(CC=C)CC3)C(=O)c2cc1OC Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	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	DrugBank Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human plasma BuChE using butyrylthiocholine as substrate measured after 5 mins by Ellman's method				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112140 BindingDB Entry DOI: 10.7270/Q2RV0SGV
					More data for this Ligand-Target Pair