Compile Data Set for Download or QSAR

Found 7640 hits of ic50 data for polymerid = 3619   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM9017 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C31H36Cl2N4O2/c1-39-22-11-12-26-24(18-22)20(19-36-26)13-15-34-29(38)10-4-2-3-7-14-35-31-23-8-5-6-9-27(23)37-28-17-21(32)16-25(33)30(28)31/h11-12,16-19,36H,2-10,13-15H2,1H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					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))	BDBM9006 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C29H34N4O/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9011 (6-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H32Cl2N4O/c30-20-16-23(31)28-26(17-20)35-25-11-6-4-9-22(25)29(28)33-14-7-1-2-12-27(36)32-15-13-19-18-34-24-10-5-3-8-21(19)24/h3,5,8,10,16-18,34H,1-2,4,6-7,9,11-15H2,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510865 (CHEMBL4532770) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C32H40N4O2/c1-38-24-16-17-28-27(21-24)23(22-35-28)18-20-33-31(37)15-5-3-2-4-10-19-34-32-25-11-6-8-13-29(25)36-30-14-9-7-12-26(30)32/h6,8,11,13,16-17,21-22,35H,2-5,7,9-10,12,14-15,18-20H2,1H3,(H,33,37)(H,34,36)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9018 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c34-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(35)12-2-1-7-16-31-29-22-8-3-5-10-26(22)33-27-11-6-4-9-23(27)29/h3,5,8,10,13-14,18-19,32,34H,1-2,4,6-7,9,11-12,15-17H2,(H,30,35)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510867 (CHEMBL4469239) Show SMILES S=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C29H34N4S/c34-28(30-19-17-21-20-32-25-13-6-3-10-22(21)25)16-2-1-9-18-31-29-23-11-4-7-14-26(23)33-27-15-8-5-12-24(27)29/h3-4,6-7,10-11,13-14,20,32H,1-2,5,8-9,12,15-19H2,(H,30,34)(H,31,33)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510868 (CHEMBL4448350) Show SMILES Clc1cccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc12 Show InChI InChI=1S/C29H33ClN4O/c30-24-12-8-11-23-28(22-10-4-6-14-26(22)34-29(23)24)32-17-7-1-2-15-27(35)31-18-16-20-19-33-25-13-5-3-9-21(20)25/h3,5,8-9,11-13,19,33H,1-2,4,6-7,10,14-18H2,(H,31,35)(H,32,34)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510869 (CHEMBL4443426) Show SMILES O=C(CCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C28H32N4O/c33-27(29-18-16-20-19-31-24-12-4-1-9-21(20)24)15-7-8-17-30-28-22-10-2-5-13-25(22)32-26-14-6-3-11-23(26)28/h1-2,4-5,9-10,12-13,19,31H,3,6-8,11,14-18H2,(H,29,33)(H,30,32)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9009 (7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-7-5-10-24(27)30(25)33-17-8-2-1-3-13-29(36)32-18-16-21-20-34-26-11-6-4-9-23(21)26/h4,6,9,11,14-15,19-20,34H,1-3,5,7-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510870 (CHEMBL4543251) Show SMILES Fc1ccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c2c1 Show InChI InChI=1S/C29H33FN4O/c30-21-13-14-27-24(18-21)29(23-9-4-6-11-26(23)34-27)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9016 (6-(8-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-21-13-14-25-23(18-21)20(19-34-25)15-17-32-28(36)12-3-2-6-16-33-30-22-8-4-5-10-26(22)35-27-11-7-9-24(31)29(27)30/h7,9,11,13-14,18-19,34H,2-6,8,10,12,15-17H2,1H3,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510837 (CHEMBL4467284) Show SMILES S=C(CCCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H38N4S/c36-30(32-21-19-23-22-34-27-15-8-5-12-24(23)27)18-4-2-1-3-11-20-33-31-25-13-6-9-16-28(25)35-29-17-10-7-14-26(29)31/h5-6,8-9,12-13,15-16,22,34H,1-4,7,10-11,14,17-21H2,(H,32,36)(H,33,35)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9007 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(31-20-18-22-21-33-26-14-7-4-11-23(22)26)17-3-1-2-10-19-32-30-24-12-5-8-15-27(24)34-28-16-9-6-13-25(28)30/h4-5,7-8,11-12,14-15,21,33H,1-3,6,9-10,13,16-20H2,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510845 (CHEMBL4556734) Show SMILES O=C(CCCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C31H38N4O/c36-30(32-21-19-23-22-34-27-15-8-5-12-24(23)27)18-4-2-1-3-11-20-33-31-25-13-6-9-16-28(25)35-29-17-10-7-14-26(29)31/h5-6,8-9,12-13,15-16,22,34H,1-4,7,10-11,14,17-21H2,(H,32,36)(H,33,35)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9008 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C29H33ClN4O/c30-21-13-14-24-27(18-21)34-26-11-6-4-9-23(26)29(24)32-16-7-1-2-12-28(35)31-17-15-20-19-33-25-10-5-3-8-22(20)25/h3,5,8,10,13-14,18-19,33H,1-2,4,6-7,9,11-12,15-17H2,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510846 (CHEMBL4590945) Show SMILES Clc1cc(Cl)c2c(NCCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C31H36Cl2N4O/c32-22-18-25(33)30-28(19-22)37-27-13-8-6-11-24(27)31(30)35-16-9-3-1-2-4-14-29(38)34-17-15-21-20-36-26-12-7-5-10-23(21)26/h5,7,10,12,18-20,36H,1-4,6,8-9,11,13-17H2,(H,34,38)(H,35,37)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510847 (CHEMBL4455677) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C29H34N4O2/c1-35-21-13-14-25-24(18-21)20(19-32-25)15-17-30-28(34)12-6-7-16-31-29-22-8-2-4-10-26(22)33-27-11-5-3-9-23(27)29/h2,4,8,10,13-14,18-19,32H,3,5-7,9,11-12,15-17H2,1H3,(H,30,34)(H,31,33)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9013 (6-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-hexanoic ...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C30H36N4O2/c1-36-22-14-15-26-25(19-22)21(20-33-26)16-18-31-29(35)13-3-2-8-17-32-30-23-9-4-6-11-27(23)34-28-12-7-5-10-24(28)30/h4,6,9,11,14-15,19-20,33H,2-3,5,7-8,10,12-13,16-18H2,1H3,(H,31,35)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9014 (7-(1,2,3,4-Tetrahydro-acridin-9-ylamino)-heptanoic...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c1-37-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(36)14-4-2-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34H,2-4,6,8-9,11,13-14,17-19H2,1H3,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9015 (6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-...) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1 Show InChI InChI=1S/C30H35ClN4O2/c1-37-22-11-13-26-25(18-22)20(19-34-26)14-16-32-29(36)9-3-2-6-15-33-30-23-7-4-5-8-27(23)35-28-17-21(31)10-12-24(28)30/h10-13,17-19,34H,2-9,14-16H2,1H3,(H,32,36)(H,33,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510848 (CHEMBL4468781) Show SMILES COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1 Show InChI InChI=1S/C30H34Cl2N4O2/c1-38-21-10-11-25-23(17-21)19(18-35-25)12-14-33-28(37)9-3-2-6-13-34-30-22-7-4-5-8-26(22)36-27-16-20(31)15-24(32)29(27)30/h10-11,15-18,35H,2-9,12-14H2,1H3,(H,33,37)(H,34,36)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50510849 (CHEMBL4579667) Show SMILES Oc1ccc2[nH]cc(CCNC(=O)CCCCCCCNc3c4CCCCc4nc4ccccc34)c2c1 Show InChI InChI=1S/C31H38N4O2/c36-23-15-16-27-26(20-23)22(21-34-27)17-19-32-30(37)14-4-2-1-3-9-18-33-31-24-10-5-7-12-28(24)35-29-13-8-6-11-25(29)31/h5,7,10,12,15-16,20-21,34,36H,1-4,6,8-9,11,13-14,17-19H2,(H,32,37)(H,33,35)	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
CSIR-Central Drug Research Institute Curated by ChEMBL					Assay Description Inhibition of human erythrocyte acetylcholinesterase using acetylthiocholine as substrate by Ellman's method				Bioorg Med Chem 27: 895-930 (2019) Article DOI: 10.1016/j.bmc.2019.01.025 BindingDB Entry DOI: 10.7270/Q2N87F3N
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50049862 (CHEMBL3322232) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C35H33Cl2N5O/c36-23-11-8-21(9-12-23)32-27-6-3-16-38-34(27)28-19-22(10-15-30(28)42-32)35(43)40-18-4-17-39-33-25-5-1-2-7-29(25)41-31-20-24(37)13-14-26(31)33/h8-15,19-20,38H,1-7,16-18H2,(H,39,41)(H,40,43)	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	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50523376 (CHEMBL4589980) Show SMILES Clc1cccc2nc3CCCCc3c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12 Show InChI InChI=1S/C30H35ClN4O/c31-24-12-9-15-27-29(24)30(23-11-5-7-14-26(23)35-27)33-18-8-2-1-3-16-28(36)32-19-17-21-20-34-25-13-6-4-10-22(21)25/h4,6,9-10,12-13,15,20,34H,1-3,5,7-8,11,14,16-19H2,(H,32,36)(H,33,35)	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	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
University of Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition and measured ...				Eur J Med Chem 168: 491-514 (2019) Article DOI: 10.1016/j.ejmech.2019.02.021 BindingDB Entry DOI: 10.7270/Q2RV0S3X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9012 (7-(6,8-Dichloro-1,2,3,4-tetrahydro-acridin-9-ylami...) Show SMILES Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Quimica Medica (CSIC)					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...				J Med Chem 49: 459-62 (2006) Article DOI: 10.1021/jm050746d BindingDB Entry DOI: 10.7270/Q2VD6WN2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456700 (CHEMBL4205425) Show SMILES COc1ccccc1C(=O)N1Cc2cc(NC(=O)c3cccc(Cl)c3)ccc2CC1=O Show InChI InChI=1S/C24H19ClN2O4/c1-31-21-8-3-2-7-20(21)24(30)27-14-17-12-19(10-9-15(17)13-22(27)28)26-23(29)16-5-4-6-18(25)11-16/h2-12H,13-14H2,1H3,(H,26,29)	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	0.0110	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456689 (CHEMBL4205954) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1ccccc1 Show InChI InChI=1S/C23H17ClN2O3/c24-19-8-4-7-17(11-19)22(28)25-20-10-9-16-13-21(27)26(14-18(16)12-20)23(29)15-5-2-1-3-6-15/h1-12H,13-14H2,(H,25,28)	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	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456691 (CHEMBL4210316) Show SMILES Cc1cccc(c1)C(=O)N1Cc2cc(NC(=O)c3cccc(Cl)c3)ccc2CC1=O Show InChI InChI=1S/C24H19ClN2O3/c1-15-4-2-6-18(10-15)24(30)27-14-19-12-21(9-8-16(19)13-22(27)28)26-23(29)17-5-3-7-20(25)11-17/h2-12H,13-14H2,1H3,(H,26,29)	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	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456690 (CHEMBL4217663) Show SMILES Clc1cccc(c1)C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H16Cl2N2O3/c24-18-5-1-3-15(9-18)22(29)26-20-8-7-14-12-21(28)27(13-17(14)11-20)23(30)16-4-2-6-19(25)10-16/h1-11H,12-13H2,(H,26,29)	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	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456692 (CHEMBL4209803) Show SMILES Cc1cccc(c1)C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1cccc(C)c1 Show InChI InChI=1S/C25H22N2O3/c1-16-5-3-7-19(11-16)24(29)26-22-10-9-18-14-23(28)27(15-21(18)13-22)25(30)20-8-4-6-17(2)12-20/h3-13H,14-15H2,1-2H3,(H,26,29)	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	0.0140	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456693 (CHEMBL4214430) Show SMILES COc1ccccc1C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H19ClN2O4/c1-31-21-8-3-2-7-20(21)23(29)26-19-10-9-15-13-22(28)27(14-17(15)12-19)24(30)16-5-4-6-18(25)11-16/h2-12H,13-14H2,1H3,(H,26,29)	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	0.0170	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456699 (CHEMBL4213253) Show SMILES COc1ccccc1C(=O)N1Cc2cc(NC(=O)c3ccccc3)ccc2CC1=O Show InChI InChI=1S/C24H20N2O4/c1-30-21-10-6-5-9-20(21)24(29)26-15-18-13-19(12-11-17(18)14-22(26)27)25-23(28)16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,28)	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	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM9022 (CHEMBL225567 | Indole-Tacrine Heterodimer 5 | N-[5...) Show SMILES Clc1ccc2c(NCCCCCCNC(=O)CCc3c[nH]c4ccccc34)c3CCCCc3nc2c1 Show InChI InChI=1S/C30H35ClN4O/c31-22-14-15-25-28(19-22)35-27-12-6-4-10-24(27)30(25)33-18-8-2-1-7-17-32-29(36)16-13-21-20-34-26-11-5-3-9-23(21)26/h3,5,9,11,14-15,19-20,34H,1-2,4,6-8,10,12-13,16-18H2,(H,32,36)(H,33,35)	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human AchE				J Med Chem 51: 347-72 (2008) Article DOI: 10.1021/jm7009364 BindingDB Entry DOI: 10.7270/Q25B039W
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50318731 (3-(1H-indol-3-yl)-N-(6-(1,2,3,4-tetrahydroacridin-...) Show SMILES O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H36N4O/c35-29(18-17-22-21-33-26-14-6-3-11-23(22)26)31-19-9-1-2-10-20-32-30-24-12-4-7-15-27(24)34-28-16-8-5-13-25(28)30/h3-4,6-7,11-12,14-15,21,33H,1-2,5,8-10,13,16-20H2,(H,31,35)(H,32,34)	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	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456696 (CHEMBL4214707) Show SMILES Cc1cccc(c1)C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C24H19ClN2O3/c1-15-4-2-5-17(10-15)23(29)26-21-9-8-16-13-22(28)27(14-19(16)12-21)24(30)18-6-3-7-20(25)11-18/h2-12H,13-14H2,1H3,(H,26,29)	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	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456682 (CHEMBL4210041) Show SMILES COc1ccccc1C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1ccccc1OC Show InChI InChI=1S/C25H22N2O5/c1-31-21-9-5-3-7-19(21)24(29)26-18-12-11-16-14-23(28)27(15-17(16)13-18)25(30)20-8-4-6-10-22(20)32-2/h3-13H,14-15H2,1-2H3,(H,26,29)	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	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456688 (CHEMBL4218191) Show SMILES Cc1cccc(c1)C(=O)N1Cc2cc(NC(=O)c3ccccc3)ccc2CC1=O Show InChI InChI=1S/C24H20N2O3/c1-16-6-5-9-19(12-16)24(29)26-15-20-13-21(11-10-18(20)14-22(26)27)25-23(28)17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,25,28)	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	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456694 (CHEMBL4205144) Show SMILES COc1ccccc1C(=O)Nc1ccc2CC(=O)N(Cc2c1)C(=O)c1cccc(C)c1 Show InChI InChI=1S/C25H22N2O4/c1-16-6-5-7-18(12-16)25(30)27-15-19-13-20(11-10-17(19)14-23(27)28)26-24(29)21-8-3-4-9-22(21)31-2/h3-13H,14-15H2,1-2H3,(H,26,29)	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	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
Central South University Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Eur J Med Chem 138: 738-747 (2017) Article DOI: 10.1016/j.ejmech.2017.07.006 BindingDB Entry DOI: 10.7270/Q2HM5C2T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093588 (CHEMBL3585776) Show SMILES COc1ccc(cc1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C17H20N2O5S/c1-13(15-8-10-16(23-2)11-9-15)18-25(21,22)19-17(20)24-12-14-6-4-3-5-7-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093584 (CHEMBL3585780) Show SMILES COc1ccccc1C(C)NS(N)(=O)=O Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H2,10,12,13)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093586 (CHEMBL3585778) Show SMILES COc1ccc(OC)c(c1)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C18H22N2O6S/c1-13(16-11-15(24-2)9-10-17(16)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093587 (CHEMBL3585777) Show SMILES COc1ccc(cc1OC)C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C18H22N2O6S/c1-13(15-9-10-16(24-2)17(11-15)25-3)19-27(22,23)20-18(21)26-12-14-7-5-4-6-8-14/h4-11,13,19H,12H2,1-3H3,(H,20,21)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093589 (CHEMBL3585775) Show SMILES COc1ccccc1C(C)NS(=O)(=O)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C17H20N2O5S/c1-13(15-10-6-7-11-16(15)23-2)18-25(21,22)19-17(20)24-12-14-8-4-3-5-9-14/h3-11,13,18H,12H2,1-2H3,(H,19,20)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 2 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093581 (CHEMBL3585783) Show SMILES COc1ccc(OC)c(c1)C(C)NS(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)9-6-8(15-2)4-5-10(9)16-3/h4-7,12H,1-3H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093597 (CHEMBL3585784) Show SMILES COc1cccc(OC)c1C(C)NS(N)(=O)=O Show InChI InChI=1S/C21H33NO2/c1-13(22-24)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23-24H,5-12H2,1-3H3/b22-13-/t15?,16?,17-,18?,19?,20?,21?/m1/s1	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) assessed as AChI hydrolysis using AChI and DTNB as substrate by Ellman's method				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093583 (CHEMBL3585781) Show SMILES COc1ccc(cc1)C(C)NS(N)(=O)=O Show InChI InChI=1S/C9H14N2O3S/c1-7(11-15(10,12)13)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H2,10,12,13)	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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50093582 (CHEMBL3585782) Show SMILES COc1ccc(cc1OC)C(C)NS(N)(=O)=O Show InChI InChI=1S/C10H16N2O4S/c1-7(12-17(11,13)14)8-4-5-9(15-2)10(6-8)16-3/h4-7,12H,1-3H3,(H2,11,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
AgriIbrahim£e£en University Curated by ChEMBL					Assay Description Inhibition of esterase activity of carbonic anhydrase 1 in human erythrocytes using PNF as substrate by spectrophotometer analysis				Bioorg Med Chem 23: 3592-602 (2015) Article DOI: 10.1016/j.bmc.2015.04.019 BindingDB Entry DOI: 10.7270/Q2J104XP
					More data for this Ligand-Target Pair

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