Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'ku?era' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579850 (CHEMBL5088077) Show SMILES [H][C@@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc2ccccc12 |r,c:6,TLB:14:13:1:10.9,22:23:1:10.9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541552 (CHEMBL4648132) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc2ccccc12 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C29H27NO6/c1-32-18-10-11-29-22-13-23-27(35-16-34-23)26(33-2)21(22)14-30(24(29)12-18)15-25(29)36-28(31)20-9-5-7-17-6-3-4-8-19(17)20/h3-11,13,18,24-25H,12,14-16H2,1-2H3/t18-,24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541562 (CHEMBL4640945) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1C |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-6-4-5-7-17(15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)9-8-16(29-2)10-21(26)27/h4-9,11,16,21-22H,10,12-14H2,1-3H3/t16-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541559 (CHEMBL4644410) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1OC |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO7/c1-29-15-8-9-26-18-11-20-24(33-14-32-20)23(31-3)17(18)12-27(21(26)10-15)13-22(26)34-25(28)16-6-4-5-7-19(16)30-2/h4-9,11,15,21-22H,10,12-14H2,1-3H3/t15-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541561 (CHEMBL4640168) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(C)c1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-5-4-6-16(9-15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)8-7-17(29-2)10-21(26)27/h4-9,11,17,21-22H,10,12-14H2,1-3H3/t17-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50541569 (CHEMBL4638699) Show SMILES [H][C@]1([C@H](C)N(C)C)[C@H](O)C[C@@]2(C)[C@]3([H])CC[C@]4([H])[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C |r,c:29| Show InChI InChI=1S/C26H41NO2/c1-16(27(6)7)21-17(28)14-24(5)19-9-8-18-22(2,3)20(29)10-11-25(18)15-26(19,25)13-12-23(21,24)4/h10-11,16-19,21,28H,8-9,12-15H2,1-7H3/t16-,17+,18-,19-,21-,23+,24-,25+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine chloride as substrate by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579848 (CHEMBL5086177) Show SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3[N+]([O-])=O)C=C[C@@]11CCN2Cc2cc3OCOc3cc12 |r,c:17| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579829 (CHEMBL5087321) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50541570 (CHEMBL4638459) Show SMILES [H][C@@]1(CC[C@@]2(C)[C@]3([H])CC[C@]4([H])C(C=C[C@H](NC(=O)c5ccccc5)C4(C)C)=CC3=CC[C@]12C)[C@H](C)N(C)C |r,wU:15.15,32.37,6.6,wD:34.40,1.0,4.4,10.10,c:13,29,32,(30.59,-13.08,;29.04,-13.08,;29.96,-14.32,;29.04,-15.56,;27.59,-15.09,;27.59,-16.63,;26.25,-15.86,;26.25,-14.32,;26.25,-17.4,;24.92,-18.17,;23.59,-17.4,;23.99,-18.89,;23.59,-15.86,;22.25,-15.09,;20.92,-15.86,;20.92,-17.4,;19.59,-18.17,;18.26,-17.4,;18.26,-15.86,;16.92,-18.17,;16.92,-19.71,;15.59,-20.48,;14.26,-19.71,;14.26,-18.17,;15.59,-17.39,;22.25,-18.17,;21.48,-19.51,;23.02,-19.51,;23.63,-14.32,;24.92,-15.09,;24.92,-13.55,;26.25,-12.78,;27.59,-13.55,;27.59,-12.01,;29.44,-11.59,;28.36,-10.5,;30.93,-11.19,;31.33,-9.71,;32.02,-12.28,)| Show InChI InChI=1S/C33H46N2O/c1-22(35(6)7)26-18-20-33(5)28-15-14-27-24(21-25(28)17-19-32(26,33)4)13-16-29(31(27,2)3)34-30(36)23-11-9-8-10-12-23/h8-13,16-17,21-22,26-29H,14-15,18-20H2,1-7H3,(H,34,36)/t22-,26+,27+,28+,29-,32+,33-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of horse serum BuChE using butyrylthiocholine chloride as substrate by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50579837 (CHEMBL5079347) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)N3CCCCC3)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:17| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50586362 (CHEMBL5083245) Show SMILES C[C@@H]([C@@H](C)N1CC(=O)NC(=O)C1)N1CCNC(=O)C1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TOP2A assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02157 BindingDB Entry DOI: 10.7270/Q2QJ7N6V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cholinesterase (Homo sapiens (Human))	BDBM50541556 (CHEMBL4634465) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1[N+]([O-])=O |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H24N2O8/c1-31-14-7-8-25-17-10-19-23(34-13-33-19)22(32-2)16(17)11-26(20(25)9-14)12-21(25)35-24(28)15-5-3-4-6-18(15)27(29)30/h3-8,10,14,20-21H,9,11-13H2,1-2H3/t14-,20-,21+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50586362 (CHEMBL5083245) Show SMILES C[C@@H]([C@@H](C)N1CC(=O)NC(=O)C1)N1CCNC(=O)C1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TOP2B assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02157 BindingDB Entry DOI: 10.7270/Q2QJ7N6V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579831 (CHEMBL5091842) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3cc(ccc3Cl)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| 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	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579847 (CHEMBL5090336) Show SMILES [H][C@]12C[C@H](O)C=C[C@@]11[C@H](CN2Cc2cc3OCOc3cc12)OC(=O)c1ccccc1OC |r,c:5,TLB:13:12:1:9.8,19:20:1:9.8| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541563 (CHEMBL4633343) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H25NO6/c1-28-16-8-9-25-18-11-19-23(31-14-30-19)22(29-2)17(18)12-26(20(25)10-16)13-21(25)32-24(27)15-6-4-3-5-7-15/h3-9,11,16,20-21H,10,12-14H2,1-2H3/t16-,20-,21+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579845 (CHEMBL5074625) Show SMILES [H][C@]12C[C@H](O)C=C[C@@]11[C@H](CN2Cc2cc3OCOc3cc12)OC(=O)c1cccc(c1)[N+]([O-])=O |r,c:5,TLB:13:12:1:9.8,19:20:1:9.8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579830 (CHEMBL5075459) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccc(C)c(c3)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579846 (CHEMBL5089535) Show SMILES [H][C@]12C[C@H](O)C=C[C@@]11[C@H](CN2Cc2cc3OCOc3cc12)OC(=O)c1ccccc1Cl |r,c:5,TLB:13:12:1:9.8,19:20:1:9.8| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541558 (CHEMBL4635404) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(OC)c1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO7/c1-29-16-6-4-5-15(9-16)25(28)34-22-13-27-12-18-19(11-20-24(23(18)31-3)33-14-32-20)26(22)8-7-17(30-2)10-21(26)27/h4-9,11,17,21-22H,10,12-14H2,1-3H3/t17-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579844 (CHEMBL5070022) Show SMILES [H][C@]12C[C@H](OC(=O)N3CCCCC3)[C@@H](OC)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:17| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579849 (CHEMBL5079168) Show SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3C)C=C[C@@]11CCN2Cc2cc3OCOc3cc12 |r,c:15| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579846 (CHEMBL5089535) Show SMILES [H][C@]12C[C@H](O)C=C[C@@]11[C@H](CN2Cc2cc3OCOc3cc12)OC(=O)c1ccccc1Cl |r,c:5,TLB:13:12:1:9.8,19:20:1:9.8| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579828 (CHEMBL5083797) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:23| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541553 (CHEMBL4636736) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccc2ccccc2c1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C29H27NO6/c1-32-20-9-10-29-22-13-23-27(35-16-34-23)26(33-2)21(22)14-30(24(29)12-20)15-25(29)36-28(31)19-8-7-17-5-3-4-6-18(17)11-19/h3-11,13,20,24-25H,12,14-16H2,1-2H3/t20-,24-,25+,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50579842 (CHEMBL5090352) Show SMILES [H][C@]12C[C@H](OC(=O)c3ccc(cc3Cl)[N+]([O-])=O)[C@@H](OC)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541560 (CHEMBL4638682) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccc(C)cc1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-4-6-16(7-5-15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)9-8-17(29-2)10-21(26)27/h4-9,11,17,21-22H,10,12-14H2,1-3H3/t17-,21-,22+,26+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human BuChE using butyrylthiocholine chloride as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541550 (CHEMBL4644284) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccoc1 |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C23H23NO7/c1-26-14-3-5-23-16-8-17-21(30-12-29-17)20(27-2)15(16)9-24(18(23)7-14)10-19(23)31-22(25)13-4-6-28-11-13/h3-6,8,11,14,18-19H,7,9-10,12H2,1-2H3/t14-,18-,19+,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50586360 (ADR-529 | CHEBI:50223 | Cardioxane | DEXRAZOXANE |...) Show SMILES C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TOP2A assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02157 BindingDB Entry DOI: 10.7270/Q2QJ7N6V
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM10404 ((1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetrac...) Show SMILES COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12| Show InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50541555 (CHEMBL4646747) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(c1)[N+]([O-])=O |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H24N2O8/c1-31-16-6-7-25-18-10-19-23(34-13-33-19)22(32-2)17(18)11-26(20(25)9-16)12-21(25)35-24(28)14-4-3-5-15(8-14)27(29)30/h3-8,10,16,20-21H,9,11-13H2,1-2H3/t16-,20-,21+,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
DNA topoisomerase 2-beta (Homo sapiens (Human))	BDBM50586360 (ADR-529 | CHEBI:50223 | Cardioxane | DEXRAZOXANE |...) Show SMILES C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human TOP2B assessed as reduction in relaxation of supercoiled DNA using kDNA as substrate incubated for 30 min				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02157 BindingDB Entry DOI: 10.7270/Q2QJ7N6V
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50541556 (CHEMBL4634465) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1[N+]([O-])=O |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H24N2O8/c1-31-14-7-8-25-17-10-19-23(34-13-33-19)22(32-2)16(17)11-26(20(25)9-14)12-21(25)35-24(28)15-5-3-4-6-18(15)27(29)30/h3-8,10,14,20-21H,9,11-13H2,1-2H3/t14-,20-,21+,25+/m0/s1	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	5.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50541562 (CHEMBL4640945) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1ccccc1C |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C26H27NO6/c1-15-6-4-5-7-17(15)25(28)33-22-13-27-12-18-19(11-20-24(23(18)30-3)32-14-31-20)26(22)9-8-16(29-2)10-21(26)27/h4-9,11,16,21-22H,10,12-14H2,1-3H3/t16-,21-,22+,26+/m0/s1	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	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579848 (CHEMBL5086177) Show SMILES [H][C@]12C[C@H](OC(=O)c3ccccc3[N+]([O-])=O)C=C[C@@]11CCN2Cc2cc3OCOc3cc12 |r,c:17| 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	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50541555 (CHEMBL4646747) Show SMILES [H][C@]12C[C@@H](OC)C=C[C@]11[C@@H](CN2Cc2c(OC)c3OCOc3cc12)OC(=O)c1cccc(c1)[N+]([O-])=O |r,c:6,@:11,TLB:24:9:23.13.12:1| Show InChI InChI=1S/C25H24N2O8/c1-31-16-6-7-25-18-10-19-23(34-13-33-19)22(32-2)17(18)11-26(20(25)9-16)12-21(25)35-24(28)14-4-3-5-15(8-14)27(29)30/h3-8,10,16,20-21H,9,11-13H2,1-2H3/t16-,20-,21+,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate measured for 1 min by spectrophotometric based Ellman's method				J Nat Prod 83: 1359-1367 (2020) Article DOI: 10.1021/acs.jnatprod.9b00561 BindingDB Entry DOI: 10.7270/Q2XG9VQ0
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579847 (CHEMBL5090336) Show SMILES [H][C@]12C[C@H](O)C=C[C@@]11[C@H](CN2Cc2cc3OCOc3cc12)OC(=O)c1ccccc1OC |r,c:5,TLB:13:12:1:9.8,19:20:1:9.8| 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	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579827 (CHEMBL5078705) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccc(cc3)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579832 (CHEMBL5078153) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccc(cc3Cl)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579833 (CHEMBL5084173) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3cc(Br)cc(c3)[N+]([O-])=O)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579834 (CHEMBL5087001) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccco3)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:16| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579835 (CHEMBL5077463) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3ccoc3)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:16| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50579836 (CHEMBL5077388) Show SMILES [H][C@]12C[C@H](OC)[C@@H](OC(=O)c3cccs3)C=C1[C@@]1([H])CN2Cc2cc3OCOc3cc12 |r,c:16| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human AChE using acetylthiocholine as substrate by Ellman's method				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128374 BindingDB Entry DOI: 10.7270/Q2QJ7N4Z
					More data for this Ligand-Target Pair

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