Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'rode' and Initial = 'bm'   

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))	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135157 (Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...) Show SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6] Show InChI InChI=1S/C30H50N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h17,19,21-26,28H,9-16H2,1-8H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	3.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135155 (3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,10S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C30H52N2O/c1-19(2)20(3)17-28(33)31-23-13-15-29(5)22(18-23)9-10-24-26-12-11-25(21(4)32(7)8)30(26,6)16-14-27(24)29/h17,19,21-27H,9-16,18H2,1-8H3,(H,31,33)/b20-17+/t21-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135159 ((20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C |r| Show InChI InChI=1S/C33H50N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-12,17,23,25-30H,13-16,18-22H2,1-6H3/b17-12+/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135152 (CHEMBL422098 | N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(C)=O)N(C)C Show InChI InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135150 (CHEMBL147346 | N-Methyl-N-[1-((3S,5S,8R,9S,10S,13S...) Show SMILES CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C(C)=O)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C25H44N2O/c1-16(27(6)17(2)28)21-9-10-22-20-8-7-18-15-19(26-5)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23,26H,7-15H2,1-6H3/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135155 (3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,10S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C30H52N2O/c1-19(2)20(3)17-28(33)31-23-13-15-29(5)22(18-23)9-10-24-26-12-11-25(21(4)32(7)8)30(26,6)16-14-27(24)29/h17,19,21-27H,9-16,18H2,1-8H3,(H,31,33)/b20-17+/t21-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135159 ((20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C |r| Show InChI InChI=1S/C33H50N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-12,17,23,25-30H,13-16,18-22H2,1-6H3/b17-12+/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135151 (CHEMBL343365 | N-[(2S,3R,5S,8R,9S,10S,13S,14S,17S)...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C30H46N2O2/c1-19(32(4)5)23-13-14-24-22-12-11-21-17-26(31-28(34)20-9-7-6-8-10-20)27(33)18-30(21,3)25(22)15-16-29(23,24)2/h6-10,19,21-27,33H,11-18H2,1-5H3,(H,31,34)/t19-,21-,22-,23+,24-,25-,26+,27-,29+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135157 (Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...) Show SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6] Show InChI InChI=1S/C30H50N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h17,19,21-26,28H,9-16H2,1-8H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135149 (Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135156 (Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...) Show SMILES C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C |c:20| Show InChI InChI=1S/C30H48N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,13,18,20-21,23-27,34H,10-12,14-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,23-,24-,25-,26-,27+,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135152 (CHEMBL422098 | N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(C)=O)N(C)C Show InChI InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135149 (Acetic acid (2S,3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](OC(C)=O)[C@@H](NC(=O)c5ccccc5)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C32H48N2O4/c1-19(34(5)6)23-14-15-24-22-12-13-26-29(38-20(2)35)28(33-30(37)21-10-8-7-9-11-21)27(36)18-32(26,4)25(22)16-17-31(23,24)3/h7-11,19,22-29,36H,12-18H2,1-6H3,(H,33,37)/t19-,22-,23+,24-,25-,26-,27-,28-,29+,31+,32+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135156 (Acetic acid (2S,3S,4R,5R,8R,9S,10R,13R,17S)-17-((S...) Show SMILES C\C=C(/C)C(=O)N[C@H]1[C@@H](O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC[C@H]2[C@H]1OC(C)=O)[C@H](C)N(C)C |c:20| Show InChI InChI=1S/C30H48N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,13,18,20-21,23-27,34H,10-12,14-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,23-,24-,25-,26-,27+,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135150 (CHEMBL147346 | N-Methyl-N-[1-((3S,5S,8R,9S,10S,13S...) Show SMILES CN[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C(C)=O)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C25H44N2O/c1-16(27(6)17(2)28)21-9-10-22-20-8-7-18-15-19(26-5)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23,26H,7-15H2,1-6H3/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro binding affinity was determined against acetylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135157 (Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...) Show SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6] Show InChI InChI=1S/C30H50N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h17,19,21-26,28H,9-16H2,1-8H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135155 (3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,10S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C30H52N2O/c1-19(2)20(3)17-28(33)31-23-13-15-29(5)22(18-23)9-10-24-26-12-11-25(21(4)32(7)8)30(26,6)16-14-27(24)29/h17,19,21-27H,9-16,18H2,1-8H3,(H,31,33)/b20-17+/t21-,22-,23-,24-,25+,26-,27-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135159 ((20S,2'E)-20-(N,N-dimethylamino)-3beta-(3'-phenyl-...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C(=O)\C=C\c1ccccc1)N(C)C |r| Show InChI InChI=1S/C33H50N2O/c1-23(34(4)5)28-15-16-29-27-14-13-25-22-26(18-20-32(25,2)30(27)19-21-33(28,29)3)35(6)31(36)17-12-24-10-8-7-9-11-24/h7-12,17,23,25-30H,13-16,18-22H2,1-6H3/b17-12+/t23-,25-,26-,27-,28+,29-,30-,32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.84E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135147 ((+)-axillaridine A | 14-(1-dimethylaminoethyl)-2,1...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=O)C(NC(=O)c5ccccc5)=CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C |r,c:22| Show InChI InChI=1S/C30H42N2O2/c1-19(32(4)5)22-13-14-23-21-11-12-25-27(33)26(31-28(34)20-9-7-6-8-10-20)16-18-30(25,3)24(21)15-17-29(22,23)2/h6-10,16,19,21-25H,11-15,17-18H2,1-5H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50242345 (CHEMBL460447 | [(20S)-20-(N,N-dimethylamino)-3 bet...) Show SMILES [#6]-[#6@H](-[#7](-[#6])-[#6])-[#6]1=[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6] |r,t:5| Show InChI InChI=1S/C30H48N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h11,17,19,21,23-26,28H,9-10,12-16H2,1-8H3,(H,31,34)/t19-,21-,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135146 ((E)-2-Methyl-but-2-enoic acid [(3S,8R,9S,10R,13R,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:19,25| Show InChI InChI=1S/C28H42N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,12,18-20,22,24H,9,11,13-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,22-,24-,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421626 (CHEMBL139685) Show SMILES CN[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C24H44N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h16-22,25H,7-15H2,1-6H3/t16-,17?,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135148 (1N-[14-(1-dimethylaminoethyl)-2,15-dimethyl-(1S,7S...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 |t:21| Show InChI InChI=1S/C31H52N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h12,18,20,22-25,27-28H,10-11,13-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,27-,28-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135153 ((E)-3,4-Dimethyl-pent-2-enoic acid [(3S,5S,8R,9S,1...) Show SMILES CC(C)C(\C)=C\C(=O)N(C)[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@H]23)C1 Show InChI InChI=1S/C31H54N2O/c1-20(2)21(3)18-29(34)33(9)24-14-16-30(5)23(19-24)10-11-25-27-13-12-26(22(4)32(7)8)31(27,6)17-15-28(25)30/h18,20,22-28H,10-17,19H2,1-9H3/b21-18+/t22-,23-,24-,25-,26+,27-,28-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421627 (CHEMBL136317) Show SMILES C[C@H](NC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C Show InChI InChI=1S/C24H42N2O/c1-16(25-15-27)20-8-9-21-19-7-6-17-14-18(26(4)5)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135158 ((E)-2-Methyl-but-2-enoic acid [(3S,8S,9S,10R,13S,1...) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1=O)[C@H](C)N(C)C |c:25| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421630 (CHEMBL136251) Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC=C4[C@@H]3CCC2=C1)[C@H](C)N(C)C |c:19,27| Show InChI InChI=1S/C28H44N2O/c1-8-18(2)26(31)29-21-13-15-27(4)20(17-21)9-10-22-24-12-11-23(19(3)30(6)7)28(24,5)16-14-25(22)27/h8,12,17,19,21-23,25H,9-11,13-16H2,1-7H3,(H,29,31)/b18-8+/t19-,21-,22-,23+,25-,27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50135157 (Acetic acid (1S,6R,7R,10R,11S,12S,15S,16S)-17-((S)...) Show SMILES [#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2-[#6@@H]-3-[#6]-[#6]-[#6@H]4-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@H](-[#6]-[#6][C@]4([#6])[#6@H]-3-[#6]-[#6][C@]12[#6])-[#7]-[#6](=O)\[#6]=[#6](/[#6])-[#6])-[#7](-[#6])-[#6] Show InChI InChI=1S/C30H50N2O3/c1-18(2)17-27(34)31-26-14-16-30(6)24-13-15-29(5)22(19(3)32(7)8)11-12-23(29)21(24)9-10-25(30)28(26)35-20(4)33/h17,19,21-26,28H,9-16H2,1-8H3,(H,31,34)/t19-,21-,22+,23-,24-,25-,26-,28+,29+,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity was determined against acetylcholinesterase from Torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50135152 (CHEMBL422098 | N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17...) Show SMILES C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(C)=O)N(C)C Show InChI InChI=1S/C25H44N2O/c1-16(27(5)6)21-9-10-22-20-8-7-18-15-19(26-17(2)28)11-13-24(18,3)23(20)12-14-25(21,22)4/h16,18-23H,7-15H2,1-6H3,(H,26,28)/t16-,18-,19-,20-,21+,22-,23-,24-,25+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description In vitro anticholinesterase activity of the compound was determined against butyrylcholinesterase from torpedo californica				J Med Chem 46: 5087-90 (2003) Article DOI: 10.1021/jm0309194 BindingDB Entry DOI: 10.7270/Q2DB818T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50421625 (CHEMBL136135) Show SMILES C\C=C(/C)C(=O)NC1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CCC4[C@@H]3CC[C@H]2C1=O)[C@H](C)N(C)C |t:7| Show InChI InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,14,18-23H,9-13,15-16H2,1-7H3,(H,29,32)/b17-8+/t18-,19-,20+,21?,22-,23-,27+,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Compound was tested for the in silico inhibition of acetylcholinesterase				Bioorg Med Chem Lett 13: 4375-80 (2003) BindingDB Entry DOI: 10.7270/Q29C6ZQG
					More data for this Ligand-Target Pair

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