Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'zhu' and Initial = 'xl'   

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
Cytochrome b (Sus scrofa)	BDBM50487138 (CHEMBL2251795) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(Cl)ccc1O Show InChI InChI=1S/C22H21ClN2O5/c1-25-21(11-19(24-25)17-10-15(23)8-9-20(17)26)30-12-14-6-4-5-7-16(14)18(13-28-2)22(27)29-3/h4-11,13,26H,12H2,1-3H3/b18-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.570	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
Cytochrome b (Sus scrofa)	BDBM50487139 (CHEMBL2251793) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O Show InChI InChI=1S/C22H22N2O5/c1-24-21(12-19(23-24)17-10-6-7-11-20(17)25)29-13-15-8-4-5-9-16(15)18(14-27-2)22(26)28-3/h4-12,14,25H,13H2,1-3H3/b18-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
Cytochrome b (Sus scrofa)	BDBM50487144 (CHEMBL2251794) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1O Show InChI InChI=1S/C23H24N2O5/c1-15-9-10-21(26)18(11-15)20-12-22(25(2)24-20)30-13-16-7-5-6-8-17(16)19(14-28-3)23(27)29-4/h5-12,14,26H,13H2,1-4H3/b19-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
Cytochrome b (Sus scrofa)	BDBM50487137 (CHEBI:78780 | DNDI1724943 | PYRACLOSTROBIN) Show SMILES CON(C(=O)OC)c1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.30	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
Cytochrome b (Sus scrofa)	BDBM50487146 (CHEMBL2251796) Show SMILES CO\N=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1O Show InChI InChI=1S/C21H21N3O5/c1-24-19(12-17(22-24)16-10-6-7-11-18(16)25)29-13-14-8-4-5-9-15(14)20(23-28-3)21(26)27-2/h4-12,25H,13H2,1-3H3/b23-20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.80	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394447 (CHEMBL2159662) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
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 recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394448 (CHEMBL2159661) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C30H30N2O3/c1-23(33)28-12-6-7-13-29(28)31-30(34)25-14-16-27(17-15-25)35-21-9-3-2-8-19-32-20-18-24-10-4-5-11-26(24)22-32/h4-7,10-18,20,22H,2-3,8-9,19,21H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Succinate dehydrogenase cytochrome b560 subunit, mitochondrial (Sus scrofa)	BDBM50079610 (CHEMBL3417782) Show SMILES Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(OC(F)(F)F)cc4)nc3c2)c(n1)C(F)F Show InChI InChI=1S/C21H15F5N4O3S/c1-30-9-14(17(29-30)18(22)23)19(31)27-12-4-7-16-15(8-12)28-20(32-16)34-10-11-2-5-13(6-3-11)33-21(24,25)26/h2-9,18H,10H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	11	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 Non-competitive inhibition of porcine heart SQR in SCR complex with respect to DCIP substrate at 23 degC by double-reciprocal plot				Eur J Med Chem 95: 424-34 (2015) Article DOI: 10.1016/j.ejmech.2015.03.060 BindingDB Entry DOI: 10.7270/Q27946D8
					More data for this Ligand-Target Pair
Cytochrome b (Sus scrofa)	BDBM50487145 (CHEMBL2251799) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C29H28N2O5/c1-31-28(36-19-22-13-7-8-14-23(22)25(20-33-2)29(32)34-3)17-26(30-31)24-15-9-10-16-27(24)35-18-21-11-5-4-6-12-21/h4-17,20H,18-19H2,1-3H3/b25-20+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					More data for this Ligand-Target Pair
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))	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
Cytochrome b (Sus scrofa)	BDBM50487142 (CHEMBL2251798) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1cc(C)ccc1OC Show InChI InChI=1S/C24H26N2O5/c1-16-10-11-22(29-4)19(12-16)21-13-23(26(2)25-21)31-14-17-8-6-7-9-18(17)20(15-28-3)24(27)30-5/h6-13,15H,14H2,1-5H3/b20-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					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))	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
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
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
Cytochrome b (Sus scrofa)	BDBM50487143 (CHEMBL2251797) Show SMILES CO\C=C(\C(=O)OC)c1ccccc1COc1cc(nn1C)-c1ccccc1OC Show InChI InChI=1S/C23H24N2O5/c1-25-22(13-20(24-25)18-11-7-8-12-21(18)28-3)30-14-16-9-5-6-10-17(16)19(15-27-2)23(26)29-4/h5-13,15H,14H2,1-4H3/b19-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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 Sus scrofa (pig) heart cytochrome bc1 complex using DBH2 as substrate by spectrophotometric analysis				J Am Chem Soc 132: 185-94 (2010) Article DOI: 10.1021/ja905756c BindingDB Entry DOI: 10.7270/Q27W6G35
					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
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))	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
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
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	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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
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))	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
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
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
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
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)
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
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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394449 (CHEMBL2159660) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)27-11-5-6-12-28(27)30-29(33)24-13-15-26(16-14-24)34-20-8-2-7-18-31-19-17-23-9-3-4-10-25(23)21-31/h3-6,9-17,19,21H,2,7-8,18,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394450 (CHEMBL2159659) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C28H26N2O3/c1-21(31)26-10-4-5-11-27(26)29-28(32)23-12-14-25(15-13-23)33-19-7-6-17-30-18-16-22-8-2-3-9-24(22)20-30/h2-5,8-16,18,20H,6-7,17,19H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50394445 (CHEMBL2159664) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCCC[n+]2ccccc2)cc1 Show InChI InChI=1S/C26H28N2O3/c1-21(29)24-11-5-6-12-25(24)27-26(30)22-13-15-23(16-14-22)31-20-10-3-2-7-17-28-18-8-4-9-19-28/h4-6,8-9,11-16,18-19H,2-3,7,10,17,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					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
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))	BDBM50394451 (CHEMBL2159658) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C28H26N2O3/c1-21(31)25-11-3-4-12-26(25)29-28(32)23-14-16-24(17-15-23)33-20-7-6-18-30-19-8-10-22-9-2-5-13-27(22)30/h2-5,8-17,19H,6-7,18,20H2,1H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53	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 recombinant AChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50394447 (CHEMBL2159662) Show SMILES CC(=O)c1ccccc1NC(=O)c1ccc(OCCCCC[n+]2cccc3ccccc23)cc1 Show InChI InChI=1S/C29H28N2O3/c1-22(32)26-12-4-5-13-27(26)30-29(33)24-15-17-25(18-16-24)34-21-8-2-7-19-31-20-9-11-23-10-3-6-14-28(23)31/h3-6,9-18,20H,2,7-8,19,21H2,1H3/p+1	PDB MMDB 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 recombinant BChE using acetylthiocholine as substrate				Bioorg Med Chem 20: 6739-50 (2012) Article DOI: 10.1016/j.bmc.2012.09.016 BindingDB Entry DOI: 10.7270/Q2ZW1N1Z
					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

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