Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with all data for entry = 50011283   

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))	BDBM50546170 (CHEMBL4759108) Show SMILES Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Mixed type inhibition of human erythrocytes AChE using varying levels of acetylthiocholine iodide substrate by Dixon plot analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					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	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546170 (CHEMBL4759108) Show SMILES Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1 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	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546169 (CHEMBL4779999) Show SMILES Brc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546166 (CHEMBL4793365) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546170 (CHEMBL4759108) Show SMILES Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546167 (CHEMBL4756730) Show SMILES Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	102	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546169 (CHEMBL4779999) Show SMILES Brc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546168 (CHEMBL4761911) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	136	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546165 (CHEMBL4764740) Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	182	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546164 (CHEMBL4754304) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	219	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546158 (CHEMBL4745534) Show SMILES COc1cc(cc(OC)c1OC)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	222	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546151 (CHEMBL4782122) Show SMILES FC(F)(F)Oc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	248	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546154 (CHEMBL4746898) Show SMILES Brc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546156 (CHEMBL4746559) Show SMILES C1CN(CCN1c1nnc(o1)-c1ccccc1)c1ccccn1 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	341	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	362	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546161 (CHEMBL4761564) Show SMILES Oc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(O)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	382	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546155 (CHEMBL4763434) Show SMILES Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(F)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546165 (CHEMBL4764740) Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	465	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546154 (CHEMBL4746898) Show SMILES Brc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)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	489	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546155 (CHEMBL4763434) Show SMILES Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)c(F)c1 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	682	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546170 (CHEMBL4759108) Show SMILES Fc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(F)c1 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	787	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546166 (CHEMBL4793365) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	822	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546169 (CHEMBL4779999) Show SMILES Brc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	846	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546163 (CHEMBL4743358) Show SMILES Cc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546149 (CHEMBL4744259) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)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	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546159 (CHEMBL4746180) Show SMILES Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546157 (CHEMBL4744191) Show SMILES COc1cccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c1OC 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	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546168 (CHEMBL4761911) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| 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 DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546160 (CHEMBL4782180) Show SMILES Oc1ccccc1-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546153 (CHEMBL4788019) Show SMILES Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546167 (CHEMBL4756730) Show SMILES Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546150 (CHEMBL4748077) Show SMILES FC(F)(F)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)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	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546161 (CHEMBL4761564) Show SMILES Oc1ccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c(O)c1 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	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546164 (CHEMBL4754304) Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546168 (CHEMBL4761911) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM11682 (2,3-dihydroxybutanedioic acid; 3-[(1S)-1-(dimethyl...) Show SMILES CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r| 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	1.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546159 (CHEMBL4746180) Show SMILES Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546167 (CHEMBL4756730) Show SMILES Clc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546150 (CHEMBL4748077) Show SMILES FC(F)(F)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50546153 (CHEMBL4788019) Show SMILES Fc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)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	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546154 (CHEMBL4746898) Show SMILES Brc1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)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	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546166 (CHEMBL4793365) Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	1.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50546165 (CHEMBL4764740) Show SMILES FC(F)(F)c1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 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	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546157 (CHEMBL4744191) Show SMILES COc1cccc(-c2nnc(o2)N2CCN(CC2)c2ccccn2)c1OC Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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 BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546160 (CHEMBL4782180) Show SMILES Oc1ccccc1-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					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	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by substrate addition by Ellman's metho...				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546163 (CHEMBL4743358) Show SMILES Cc1ccc(cc1)-c1nnc(o1)N1CCN(CC1)c1ccccn1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50546149 (CHEMBL4744259) Show SMILES [O-][N+](=O)c1ccc(\C=N\NC(=O)N2CCN(CC2)c2ccccn2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BACE-1 using MOCA-SEV-NL-DAEFR-DNP-RR as substrate preincubated with substrate followed by enzyme addition by FRET assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111707 BindingDB Entry DOI: 10.7270/Q2833WM3
					More data for this Ligand-Target Pair

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