Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'herlem' and Initial = 'd'   

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))	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 PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description In vitro inhibitory activity against Butyrylcholinesterase (BChE) in human serum				Bioorg Med Chem Lett 13: 2389-91 (2003) BindingDB Entry DOI: 10.7270/Q22R3R2Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19126 ((1R,3R,6R,7S,8R,10S,11S,14R,15R,20S)-18-[(2S)-buta...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)[C@@H](C)CC |r,c:32| Show InChI InChI=1S/C31H51N3O2/c1-9-18(2)26-32-17-27(4)21-10-11-22-28(5)14-20(35)25(19(3)34(7)8)29(28,6)15-24(36)31(22)16-30(21,31)13-12-23(27)33-26/h18-23,25,35H,9-17H2,1-8H3,(H,32,33)/t18-,19-,20+,21-,22-,23-,25-,27-,28-,29+,30+,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19125 ((1R,3R,6R,7S,8R,10S,11S,14R,15R,20S)-7-[(1S)-1-(di...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)C(C)C |r,c:32| Show InChI InChI=1S/C30H49N3O2/c1-17(2)25-31-16-26(4)20-9-10-21-27(5)13-19(34)24(18(3)33(7)8)28(27,6)14-23(35)30(21)15-29(20,30)12-11-22(26)32-25/h17-22,24,34H,9-16H2,1-8H3,(H,31,32)/t18-,19+,20-,21-,22-,24-,26-,27-,28+,29+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19110 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-9-18(2)28-32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-36-28)30(5)16-25(35)27(19(3)33(7)8)31(30,6)15-24(21)34/h10,18-19,21-23,25-27,35H,9,11-17H2,1-8H3/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19126 ((1R,3R,6R,7S,8R,10S,11S,14R,15R,20S)-18-[(2S)-buta...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)[C@@H](C)CC |r,c:32| Show InChI InChI=1S/C31H51N3O2/c1-9-18(2)26-32-17-27(4)21-10-11-22-28(5)14-20(35)25(19(3)34(7)8)29(28,6)15-24(36)31(22)16-30(21,31)13-12-23(27)33-26/h18-23,25,35H,9-17H2,1-8H3,(H,32,33)/t18-,19-,20+,21-,22-,23-,25-,27-,28-,29+,30+,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase (AChE) in Electrophorus electricus				Bioorg Med Chem Lett 13: 2389-91 (2003) BindingDB Entry DOI: 10.7270/Q22R3R2Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19125 ((1R,3R,6R,7S,8R,10S,11S,14R,15R,20S)-7-[(1S)-1-(di...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N=C(NC[C@@]31C)C(C)C |r,c:32| Show InChI InChI=1S/C30H49N3O2/c1-17(2)25-31-16-26(4)20-9-10-21-27(5)13-19(34)24(18(3)33(7)8)28(27,6)14-23(35)30(21)15-29(20,30)12-11-22(26)32-25/h17-22,24,34H,9-16H2,1-8H3,(H,31,32)/t18-,19+,20-,21-,22-,24-,26-,27-,28+,29+,30-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19111 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-(butan-2-yl)-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-9-18(2)28-32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-36-28)30(5)16-25(35)27(19(3)33(7)8)31(30,6)15-24(21)34/h10,18-19,21-23,25-27,35H,9,11-17H2,1-8H3/t18?,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19129 ((3R,6R,7S,8R,10S,11R,14R,15R,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(NC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H51N3O2/c1-9-18(2)28-32-17-29(4)22-11-12-23-21(14-20(22)10-13-26(29)33-28)24(35)15-31(6)27(19(3)34(7)8)25(36)16-30(23,31)5/h10,18-19,21-23,25-27,36H,9,11-17H2,1-8H3,(H,32,33)/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19101 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					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	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of BuChE activity was determined by the spectroscopic method of Ellman using butyrylthiocholine iodide as substrate, in 96-well microtiter...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19112 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(CC)CC |r,c:7,t:3| Show InChI InChI=1S/C32H52N2O3/c1-9-20(10-2)29-33-27-14-11-21-15-22-24(13-12-23(21)30(27,4)18-37-29)31(5)17-26(36)28(19(3)34(7)8)32(31,6)16-25(22)35/h11,19-20,22-24,26-28,36H,9-10,12-18H2,1-8H3/t19-,22+,23+,24+,26+,27-,28-,30-,31-,32+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19104 ((2S)-N-[(1R,6S,7S,8R,11R,12S,14R,15S,16R)-15-[(1S)...) Show SMILES [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3| Show InChI InChI=1S/C31H52N2O4/c1-9-18(2)28(37)32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-34)30(5)16-25(36)27(19(3)33(7)8)31(30,6)15-24(21)35/h10,18-19,21-23,25-27,34,36H,9,11-17H2,1-8H3,(H,32,37)/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19122 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-8-hydroxy-6,10,1...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C29H46N2O3/c1-16(2)26-31-24-11-8-18-12-19-21(10-9-20(18)27(24,4)15-34-26)28(5)14-23(33)25(17(3)30-7)29(28,6)13-22(19)32/h8,16-17,19-21,23-25,30,33H,9-15H2,1-7H3/t17-,19+,20+,21+,23+,24-,25-,27-,28-,29+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19118 ((1S,6R,7S,8R,10S,11S,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC[C@]3([H])C(=C[C@@H]1CC[C@@H]1N=C(OC[C@@]21C)C(C)C)C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]31C |r,wU:11.12,24.27,26.29,16.19,4.4,wD:35.40,27.30,32.35,8.9,1.0,c:6,13,(-2.23,3.97,;-2.23,5.51,;-.9,4.74,;.43,5.51,;.43,7.05,;1.47,5.9,;-.9,7.82,;-2.23,8.59,;-2.23,7.05,;-3.57,7.82,;-4.9,7.05,;-4.9,5.51,;-6.23,4.74,;-6.23,3.2,;-4.9,2.43,;-3.57,3.2,;-3.57,4.74,;-4.9,3.97,;-7.57,2.43,;-8.9,3.2,;-7.57,.89,;-.9,9.36,;-2.23,10.13,;.43,10.13,;1.77,9.36,;1.77,10.9,;3.23,9.83,;4,11.17,;3.23,12.5,;5.54,11.17,;6.31,9.83,;6.31,12.5,;4.14,8.59,;5.63,8.19,;3.23,7.34,;1.77,7.82,;2.17,6.33,)| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h13,17-19,21-22,24-26,34H,9-12,14-16H2,1-8H3/t18-,19?,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19120 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(=O)C(C)(C)C)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C35H56N2O4/c1-20(2)30-36-28-15-12-22-16-23-25(14-13-24(22)33(28,7)19-40-30)34(8)18-27(41-31(39)32(4,5)6)29(21(3)37(10)11)35(34,9)17-26(23)38/h12,20-21,23-25,27-29H,13-19H2,1-11H3/t21-,23+,24+,25+,27+,28-,29-,33-,34-,35+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19121 (N-[(6S,7S,8R,11S,12S,14R,15S,16R)-14-hydroxy-7-(hy...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)NC)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CO |r| Show InChI InChI=1S/C29H48N2O4/c1-16(2)24(35)31-21-10-11-28-14-29(28)20(9-8-19(28)25(21,4)15-32)26(5)12-18(33)23(17(3)30-7)27(26,6)13-22(29)34/h16-21,23,30,32-33H,8-15H2,1-7H3,(H,31,35)/t17-,18+,19-,20-,21-,23-,25-,26-,27+,28+,29-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19105 (N-[(1R,6S,7S,8R,11R,12S,14R,15S,16R)-15-[(1S)-1-(d...) Show SMILES [H][C@@]12CC3=CC[C@H](NC(=O)C(C)CC)[C@@](C)(CO)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3| Show InChI InChI=1S/C31H52N2O4/c1-9-18(2)28(37)32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-34)30(5)16-25(36)27(19(3)33(7)8)31(30,6)15-24(21)35/h10,18-19,21-23,25-27,34,36H,9,11-17H2,1-8H3,(H,32,37)/t18?,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19109 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-tert-butyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-18(33(8)9)26-24(35)16-30(6)22-12-11-21-19(14-20(22)23(34)15-31(26,30)7)10-13-25-29(21,5)17-36-27(32-25)28(2,3)4/h10,18,20-22,24-26,35H,11-17H2,1-9H3/t18-,20+,21+,22+,24+,25-,26-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19110 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-9-18(2)28-32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-36-28)30(5)16-25(35)27(19(3)33(7)8)31(30,6)15-24(21)34/h10,18-19,21-23,25-27,35H,9,11-17H2,1-8H3/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM19110 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-9-18(2)28-32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-36-28)30(5)16-25(35)27(19(3)33(7)8)31(30,6)15-24(21)34/h10,18-19,21-23,25-27,35H,9,11-17H2,1-8H3/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	265	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19123 (N-[(1R,3R,6S,7R,8R,11S,12S,14R,15S,16R)-7-(aminome...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)C(C)C)[C@@]3(C)CN |r| Show InChI InChI=1S/C30H51N3O3/c1-17(2)25(36)32-22-11-12-29-15-30(29)21(10-9-20(29)26(22,4)16-31)27(5)13-19(34)24(18(3)33(7)8)28(27,6)14-23(30)35/h17-22,24,34H,9-16,31H2,1-8H3,(H,32,36)/t18-,19+,20-,21-,22-,24-,26-,27-,28+,29+,30-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	291	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM19101 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	299	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM19109 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-tert-butyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-18(33(8)9)26-24(35)16-30(6)22-12-11-21-19(14-20(22)23(34)15-31(26,30)7)10-13-25-29(21,5)17-36-27(32-25)28(2,3)4/h10,18,20-22,24-26,35H,11-17H2,1-9H3/t18-,20+,21+,22+,24+,25-,26-,29-,30-,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19128 ((2S)-N-[(1R,6S,7R,8R,11R,12S,14R,15S,16R)-7-(amino...) Show SMILES [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(CN)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3| Show InChI InChI=1S/C31H53N3O3/c1-9-18(2)28(37)33-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-32)30(5)16-25(36)27(19(3)34(7)8)31(30,6)15-24(21)35/h10,18-19,21-23,25-27,36H,9,11-17,32H2,1-8H3,(H,33,37)/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	368	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19109 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-tert-butyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-18(33(8)9)26-24(35)16-30(6)22-12-11-21-19(14-20(22)23(34)15-31(26,30)7)10-13-25-29(21,5)17-36-27(32-25)28(2,3)4/h10,18,20-22,24-26,35H,11-17H2,1-9H3/t18-,20+,21+,22+,24+,25-,26-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM19114 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-cyclohexyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C1CCCCC1 |r,c:7,t:3| Show InChI InChI=1S/C33H52N2O3/c1-20(35(5)6)29-27(37)18-32(3)25-14-13-24-22(16-23(25)26(36)17-33(29,32)4)12-15-28-31(24,2)19-38-30(34-28)21-10-8-7-9-11-21/h12,20-21,23-25,27-29,37H,7-11,13-19H2,1-6H3/t20-,23+,24+,25+,27+,28-,29-,31-,32-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	375	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of BuChE activity was determined by the spectroscopic method of Ellman using butyrylthiocholine iodide as substrate, in 96-well microtiter...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM19115 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-benzyl-7-[(1S...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(Cc5ccccc5)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7| Show InChI InChI=1S/C34H48N2O3/c1-21(36(5)6)31-28(38)19-33(3)26-14-13-25-23(17-24(26)27(37)18-34(31,33)4)12-15-29-32(25,2)20-39-30(35-29)16-22-10-8-7-9-11-22/h7-12,21,24-26,28-29,31,38H,13-20H2,1-6H3/t21-,24+,25+,26+,28+,29-,31-,32-,33-,34+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of BuChE activity was determined by the spectroscopic method of Ellman using butyrylthiocholine iodide as substrate, in 96-well microtiter...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19119 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(C)=O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C32H50N2O4/c1-18(2)29-33-27-13-10-21-14-22-24(12-11-23(21)30(27,5)17-37-29)31(6)16-26(38-20(4)35)28(19(3)34(8)9)32(31,7)15-25(22)36/h10,18-19,22-24,26-28H,11-17H2,1-9H3/t19-,22+,23+,24+,26+,27-,28-,30-,31-,32+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19101 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	385	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19114 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-cyclohexyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C1CCCCC1 |r,c:7,t:3| Show InChI InChI=1S/C33H52N2O3/c1-20(35(5)6)29-27(37)18-32(3)25-14-13-24-22(16-23(25)26(36)17-33(29,32)4)12-15-28-31(24,2)19-38-30(34-28)21-10-8-7-9-11-21/h12,20-21,23-25,27-29,37H,7-11,13-19H2,1-6H3/t20-,23+,24+,25+,27+,28-,29-,31-,32-,33+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	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 GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	446	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19129 ((3R,6R,7S,8R,10S,11R,14R,15R,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(NC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H51N3O2/c1-9-18(2)28-32-17-29(4)22-11-12-23-21(14-20(22)10-13-26(29)33-28)24(35)15-31(6)27(19(3)34(7)8)25(36)16-30(23,31)5/h10,18-19,21-23,25-27,36H,9,11-17H2,1-8H3,(H,32,33)/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19122 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-8-hydroxy-6,10,1...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C29H46N2O3/c1-16(2)26-31-24-11-8-18-12-19-21(10-9-20(18)27(24,4)15-34-26)28(5)14-23(33)25(17(3)30-7)29(28,6)13-22(19)32/h8,16-17,19-21,23-25,30,33H,9-15H2,1-7H3/t17-,19+,20+,21+,23+,24-,25-,27-,28-,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	485	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM19122 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-8-hydroxy-6,10,1...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)NC)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C29H46N2O3/c1-16(2)26-31-24-11-8-18-12-19-21(10-9-20(18)27(24,4)15-34-26)28(5)14-23(33)25(17(3)30-7)29(28,6)13-22(19)32/h8,16-17,19-21,23-25,30,33H,9-15H2,1-7H3/t17-,19+,20+,21+,23+,24-,25-,27-,28-,29+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19108 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(CC)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7| Show InChI InChI=1S/C29H46N2O3/c1-8-25-30-24-12-9-18-13-19-21(11-10-20(18)27(24,3)16-34-25)28(4)15-23(33)26(17(2)31(6)7)29(28,5)14-22(19)32/h9,17,19-21,23-24,26,33H,8,10-16H2,1-7H3/t17-,19+,20+,21+,23+,24-,26-,27-,28-,29+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	607	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19107 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(C)OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3,7| Show InChI InChI=1S/C28H44N2O3/c1-16(30(6)7)25-23(32)14-27(4)21-10-9-20-18(12-19(21)22(31)13-28(25,27)5)8-11-24-26(20,3)15-33-17(2)29-24/h8,16,19-21,23-25,32H,9-15H2,1-7H3/t16-,19+,20+,21+,23+,24-,25-,26-,27-,28+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM19120 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(=O)C(C)(C)C)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C35H56N2O4/c1-20(2)30-36-28-15-12-22-16-23-25(14-13-24(22)33(28,7)19-40-30)34(8)18-27(41-31(39)32(4,5)6)29(21(3)37(10)11)35(34,9)17-26(23)38/h12,20-21,23-25,27-29H,13-19H2,1-11H3/t21-,23+,24+,25+,27+,28-,29-,33-,34-,35+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	724	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM19101 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	756	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19127 ((2S)-N-[(1R,6S,7S,8R,11R,12S,14R,15S,16R)-7-[(1E)-...) Show SMILES [H][C@@]12CC3=CC[C@H](NC(=O)[C@@H](C)CC)[C@@](C)(\C=N\Cc4ccccc4)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O |r,t:3| Show InChI InChI=1S/C38H57N3O3/c1-9-24(2)35(44)40-33-18-15-27-19-28-30(17-16-29(27)36(33,4)23-39-22-26-13-11-10-12-14-26)37(5)21-32(43)34(25(3)41(7)8)38(37,6)20-31(28)42/h10-15,23-25,28-30,32-34,43H,9,16-22H2,1-8H3,(H,40,44)/b39-23+/t24-,25-,28+,29+,30+,32+,33-,34-,36-,37-,38+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19116 ((1R,3R,6R,7S,8R,10S,11S,14R,15S,18S,20S)-7-[(1S)-1...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@@H]1N[C@@H](OC[C@@]31C)C(C)C |r| Show InChI InChI=1S/C30H50N2O3/c1-17(2)25-31-22-11-12-29-15-30(29)21(10-9-20(29)26(22,4)16-35-25)27(5)13-19(33)24(18(3)32(7)8)28(27,6)14-23(30)34/h17-22,24-25,31,33H,9-16H2,1-8H3/t18-,19+,20-,21-,22-,24-,25-,26-,27-,28+,29+,30-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM19120 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](OC(=O)C(C)(C)C)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C35H56N2O4/c1-20(2)30-36-28-15-12-22-16-23-25(14-13-24(22)33(28,7)19-40-30)34(8)18-27(41-31(39)32(4,5)6)29(21(3)37(10)11)35(34,9)17-26(23)38/h12,20-21,23-25,27-29H,13-19H2,1-11H3/t21-,23+,24+,25+,27+,28-,29-,33-,34-,35+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	839	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM19101 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-7-[(1S)-1-(dimet...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)C |r,c:7,t:3| Show InChI InChI=1S/C30H48N2O3/c1-17(2)27-31-25-12-9-19-13-20-22(11-10-21(19)28(25,4)16-35-27)29(5)15-24(34)26(18(3)32(7)8)30(29,6)14-23(20)33/h9,17-18,20-22,24-26,34H,10-16H2,1-8H3/t18-,20+,21+,22+,24+,25-,26-,28-,29-,30+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	25
CNRS					Assay Description Inhibition of BuChE activity was determined by the spectroscopic method of Ellman using butyrylthiocholine iodide as substrate, in 96-well microtiter...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					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	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM19109 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-tert-butyl-7-...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)C(C)(C)C |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-18(33(8)9)26-24(35)16-30(6)22-12-11-21-19(14-20(22)23(34)15-31(26,30)7)10-13-25-29(21,5)17-36-27(32-25)28(2,3)4/h10,18,20-22,24-26,35H,11-17H2,1-9H3/t18-,20+,21+,22+,24+,25-,26-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM19124 ((2S)-N-[(1R,3R,6S,7R,8R,11S,12S,14R,15S,16R)-7-(am...) Show SMILES [H][C@@]12CC[C@]3([H])[C@]4(C[C@@]14C(=O)C[C@]1(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]21C)CC[C@H](NC(=O)[C@@H](C)CC)[C@@]3(C)CN |r| Show InChI InChI=1S/C31H53N3O3/c1-9-18(2)26(37)33-23-12-13-30-16-31(30)22(11-10-21(30)27(23,4)17-32)28(5)14-20(35)25(19(3)34(7)8)29(28,6)15-24(31)36/h18-23,25,35H,9-17,32H2,1-8H3,(H,33,37)/t18-,19-,20+,21-,22-,23-,25-,27-,28-,29+,30+,31-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM19110 ((3R,6R,7S,8R,10S,11R,14R,15S,20S)-18-[(2S)-butan-2...) Show SMILES [H][C@@]12CC3=CC[C@@H]4N=C(OC[C@@]4(C)[C@]3([H])CC[C@@]1([H])[C@]1(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]1(C)CC2=O)[C@@H](C)CC |r,c:7,t:3| Show InChI InChI=1S/C31H50N2O3/c1-9-18(2)28-32-26-13-10-20-14-21-23(12-11-22(20)29(26,4)17-36-28)30(5)16-25(35)27(19(3)33(7)8)31(30,6)15-24(21)34/h10,18-19,21-23,25-27,35H,9,11-17H2,1-8H3/t18-,19-,21+,22+,23+,25+,26-,27-,29-,30-,31+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description Inhibition of AChE activity was determined by the spectroscopic method of Ellman using acetylthiocholine iodide as substrate, in 96-well microtiter p...				J Med Chem 50: 5311-23 (2007) Article DOI: 10.1021/jm070536w BindingDB Entry DOI: 10.7270/Q22B8W82
					More data for this Ligand-Target Pair

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