Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'yang' and Initial = 'sg'   

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))	BDBM50056112 (CHEMBL3326702) Show SMILES COc1cc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50056107 (CHEMBL3326704) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056107 (CHEMBL3326704) Show SMILES O=C(NCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C29H31N3O3/c33-28(23-19-20-11-3-8-16-26(20)35-29(23)34)31-18-10-2-1-9-17-30-27-21-12-4-6-14-24(21)32-25-15-7-5-13-22(25)27/h3-4,6,8,11-12,14,16,19H,1-2,5,7,9-10,13,15,17-18H2,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056109 (CHEMBL3326709) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056119 (CHEMBL3326710) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C30H33N3O3/c34-29(24-20-21-12-4-9-17-27(21)36-30(24)35)32-19-11-3-1-2-10-18-31-28-22-13-5-7-15-25(22)33-26-16-8-6-14-23(26)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056122 (CHEMBL3326705) Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056108 (CHEMBL3326707) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056121 (CHEMBL3326706) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056121 (CHEMBL3326706) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O4/c1-36-21-14-15-27-20(18-21)19-24(30(35)37-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(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	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056108 (CHEMBL3326707) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H33N3O3/c1-20-14-15-27-21(18-20)19-24(30(35)36-27)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(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	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50486212 (CHEBI:9339 | SULFENTRAZONE) Show SMILES Cc1nn(-c2cc(NS(C)(=O)=O)c(Cl)cc2Cl)c(=O)n1C(F)F Show InChI InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056120 (CHEMBL3326708) Show SMILES COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056122 (CHEMBL3326705) Show SMILES COc1ccc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C30H33N3O4/c1-36-21-15-14-20-18-24(30(35)37-27(20)19-21)29(34)32-17-9-3-2-8-16-31-28-22-10-4-6-12-25(22)33-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,2-3,5,7-9,11,13,16-17H2,1H3,(H,31,33)(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	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056106 (CHEMBL3326698) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056113 (CHEMBL3326701) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056123 (CHEMBL3326703) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H28F3N3O4/c30-29(31,32)39-19-12-13-25-18(16-19)17-22(28(37)38-25)27(36)34-15-7-1-6-14-33-26-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)26/h2,4,8,10,12-13,16-17H,1,3,5-7,9,11,14-15H2,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056114 (CHEMBL3326700) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O4/c1-35-20-13-14-26-19(17-20)18-23(29(34)36-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056106 (CHEMBL3326698) Show SMILES O=C(NCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C28H29N3O3/c32-27(22-18-19-10-2-7-15-25(19)34-28(22)33)30-17-9-1-8-16-29-26-20-11-3-5-13-23(20)31-24-14-6-4-12-21(24)26/h2-3,5,7,10-11,13,15,18H,1,4,6,8-9,12,14,16-17H2,(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056118 (CHEMBL3326711) Show SMILES COc1ccc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C31H35N3O4/c1-37-22-16-15-21-19-25(31(36)38-28(21)20-22)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056110 (CHEMBL3327246) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB 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	PDB Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056113 (CHEMBL3326701) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O3/c1-19-13-14-26-20(17-19)18-23(29(34)35-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056117 (CHEMBL3327248) Show SMILES COc1cc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-38-28-19-21-18-24(32(37)40-27(21)20-29(28)39-2)31(36)34-17-11-5-3-4-10-16-33-30-22-12-6-8-14-25(22)35-26-15-9-7-13-23(26)30/h6,8,12,14,18-20H,3-5,7,9-11,13,15-17H2,1-2H3,(H,33,35)(H,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056114 (CHEMBL3326700) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H31N3O4/c1-35-20-13-14-26-19(17-20)18-23(29(34)36-26)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase (Homo sapiens (Human))	BDBM50359944 (CHEMBL1926835) Show SMILES CCOC(=O)Sc1nc2cc(c(F)cc2s1)-n1nc(sc1=O)C(C)(C)C Show InChI InChI=1S/C16H16FN3O3S3/c1-5-23-15(22)26-13-18-9-7-10(8(17)6-11(9)24-13)20-14(21)25-12(19-20)16(2,3)4/h6-7H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human PPO by capillary electrophoresis method				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056116 (CHEMBL3327249) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)41-21-14-15-27-20(18-21)19-24(30(39)40-27)29(38)36-17-9-3-1-2-8-16-35-28-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,35,37)(H,36,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056119 (CHEMBL3326710) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2oc1=O Show InChI InChI=1S/C30H33N3O3/c34-29(24-20-21-12-4-9-17-27(21)36-30(24)35)32-19-11-3-1-2-10-18-31-28-22-13-5-7-15-25(22)33-26-16-8-6-14-23(26)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,31,33)(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	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50056111 (CHEMBL3327247) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056110 (CHEMBL3327246) Show SMILES COc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O4/c1-37-22-15-16-28-21(19-22)20-25(31(36)38-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(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	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056118 (CHEMBL3326711) Show SMILES COc1ccc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C31H35N3O4/c1-37-22-16-15-21-19-25(31(36)38-28(21)20-22)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(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	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056120 (CHEMBL3326708) Show SMILES COc1cc2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C31H35N3O5/c1-37-27-18-20-17-23(31(36)39-26(20)19-28(27)38-2)30(35)33-16-10-4-3-9-15-32-29-21-11-5-7-13-24(21)34-25-14-8-6-12-22(25)29/h5,7,11,13,17-19H,3-4,6,8-10,12,14-16H2,1-2H3,(H,32,34)(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	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50488401 (CHEMBL2286233) Show SMILES CCOC(=O)CSc1nc2cc(c(F)cc2s1)-n1nc(C)n(C(F)F)c1=O Show InChI InChI=1S/C15H13F3N4O3S2/c1-3-25-12(23)6-26-14-19-9-5-10(8(16)4-11(9)27-14)22-15(24)21(13(17)18)7(2)20-22/h4-5,13H,3,6H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056109 (CHEMBL3326709) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H30F3N3O4/c31-30(32,33)40-20-13-14-26-19(17-20)18-23(29(38)39-26)28(37)35-16-8-2-1-7-15-34-27-21-9-3-5-11-24(21)36-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,1-2,4,6-8,10,12,15-16H2,(H,34,36)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					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	62	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056111 (CHEMBL3327247) Show SMILES Cc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H35N3O3/c1-21-15-16-28-22(19-21)20-25(31(36)37-28)30(35)33-18-10-4-2-3-9-17-32-29-23-11-5-7-13-26(23)34-27-14-8-6-12-24(27)29/h5,7,11,13,15-16,19-20H,2-4,6,8-10,12,14,17-18H2,1H3,(H,32,34)(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	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056112 (CHEMBL3326702) Show SMILES COc1cc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C30H33N3O5/c1-36-26-17-19-16-22(30(35)38-25(19)18-27(26)37-2)29(34)32-15-9-3-8-14-31-28-20-10-4-6-12-23(20)33-24-13-7-5-11-21(24)28/h4,6,10,12,16-18H,3,5,7-9,11,13-15H2,1-2H3,(H,31,33)(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	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, mitochondrial (Nicotiana tabacum)	BDBM50359942 (ACIFLUORFEN) Show SMILES OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O Show InChI InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tobacum PPO				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056123 (CHEMBL3326703) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H28F3N3O4/c30-29(31,32)39-19-12-13-25-18(16-19)17-22(28(37)38-25)27(36)34-15-7-1-6-14-33-26-20-8-2-4-10-23(20)35-24-11-5-3-9-21(24)26/h2,4,8,10,12-13,16-17H,1,3,5-7,9,11,14-15H2,(H,33,35)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056116 (CHEMBL3327249) Show SMILES FC(F)(F)Oc1ccc2oc(=O)c(cc2c1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C31H32F3N3O4/c32-31(33,34)41-21-14-15-27-20(18-21)19-24(30(39)40-27)29(38)36-17-9-3-1-2-8-16-35-28-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)28/h4,6,10,12,14-15,18-19H,1-3,5,7-9,11,13,16-17H2,(H,35,37)(H,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056117 (CHEMBL3327248) Show SMILES COc1cc2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2cc1OC Show InChI InChI=1S/C32H37N3O5/c1-38-28-19-21-18-24(32(37)40-27(21)20-29(28)39-2)31(36)34-17-11-5-3-4-10-16-33-30-22-12-6-8-14-25(22)35-26-15-9-7-13-23(26)30/h6,8,12,14,18-20H,3-5,7,9-11,13,15-17H2,1-2H3,(H,33,35)(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					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	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase (Homo sapiens (Human))	BDBM50359953 (CHEMBL1926845) Show SMILES CCOC(=O)Sc1nc2cc(c(Cl)cc2s1)-n1nc(sc1=O)C(C)(C)C Show InChI InChI=1S/C16H16ClN3O3S3/c1-5-23-15(22)26-13-18-9-7-10(8(17)6-11(9)24-13)20-14(21)25-12(19-20)16(2,3)4/h6-7H,5H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human PPO by capillary electrophoresis method				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50488398 (CHEMBL2286231) Show SMILES Cc1nn(-c2cc3nc(SCC=C)sc3cc2F)c(=O)n1C(F)F Show InChI InChI=1S/C14H11F3N4OS2/c1-3-4-23-13-18-9-6-10(8(15)5-11(9)24-13)21-14(22)20(12(16)17)7(2)19-21/h3,5-6,12H,1,4H2,2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50488385 (CHEMBL2286232) Show SMILES CCCCSc1nc2cc(c(F)cc2s1)-n1nc(C)n(C(F)F)c1=O Show InChI InChI=1S/C15H15F3N4OS2/c1-3-4-5-24-14-19-10-7-11(9(16)6-12(10)25-14)22-15(23)21(13(17)18)8(2)20-22/h6-7,13H,3-5H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50488397 (CHEMBL2286234) Show SMILES CCOC(=O)C(C)Sc1nc2cc(c(F)cc2s1)-n1nc(C)n(C(F)F)c1=O Show InChI InChI=1S/C16H15F3N4O3S2/c1-4-26-13(24)7(2)27-15-20-10-6-11(9(17)5-12(10)28-15)23-16(25)22(14(18)19)8(3)21-23/h5-7,14H,4H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase (Homo sapiens (Human))	BDBM50359932 (CHEMBL1926967) Show SMILES CCOC(=O)CCSc1nc2cc(c(Cl)cc2s1)-n1nc(oc1=O)C(C)(C)C Show InChI InChI=1S/C18H20ClN3O4S2/c1-5-25-14(23)6-7-27-16-20-11-9-12(10(19)8-13(11)28-16)22-17(24)26-15(21-22)18(2,3)4/h8-9H,5-7H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human PPO by capillary electrophoresis method				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase, chloroplastic (Nicotiana tabacum)	BDBM50488382 (CHEMBL2286235) Show SMILES COC(=O)Sc1nc2cc(c(F)cc2s1)-n1nc(C)n(C(F)F)c1=O Show InChI InChI=1S/C13H9F3N4O3S2/c1-5-18-20(12(21)19(5)10(15)16)8-4-7-9(3-6(8)14)24-11(17-7)25-13(22)23-2/h3-4,10H,1-2H3	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay				Bioorg Med Chem 21: 3245-55 (2013) Article DOI: 10.1016/j.bmc.2013.03.056 BindingDB Entry DOI: 10.7270/Q2ZW1PTP
					More data for this Ligand-Target Pair

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