Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50007914   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069248 (CHEMBL421974 | N-[11-(Adamantan-1-ylamino)-undecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:32:23:30:27.26.28,THB:32:27:23.24.31:30,22:23:30:27.26.28,28:27:24:29.31.30,28:29:24:27.32.26| Show InChI InChI=1S/C31H51N3O/c1-34(2)29-14-12-25(13-15-29)21-30(35)32-16-10-8-6-4-3-5-7-9-11-17-33-31-22-26-18-27(23-31)20-28(19-26)24-31/h12-15,26-28,33H,3-11,16-24H2,1-2H3,(H,32,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069247 (CHEMBL157429 | N-[9-(Adamantan-1-ylamino)-nonyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:30:21:28:25.24.26,THB:30:25:21.22.29:28,20:21:28:25.24.26,26:25:22:27.29.28,26:27:22:25.30.24| Show InChI InChI=1S/C29H47N3O/c1-32(2)27-12-10-23(11-13-27)19-28(33)30-14-8-6-4-3-5-7-9-15-31-29-20-24-16-25(21-29)18-26(17-24)22-29/h10-13,24-26,31H,3-9,14-22H2,1-2H3,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069246 (CHEMBL152361 | N-[7-(Adamantan-1-ylamino)-heptyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:28:19:26:23.22.24,THB:28:23:19.20.27:26,18:19:26:23.22.24,24:23:20:25.27.26,24:25:20:23.28.22| Show InChI InChI=1S/C27H43N3O/c1-30(2)25-10-8-21(9-11-25)17-26(31)28-12-6-4-3-5-7-13-29-27-18-22-14-23(19-27)16-24(15-22)20-27/h8-11,22-24,29H,3-7,12-20H2,1-2H3,(H,28,31)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Bos taurus (bovine))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for competitive inhibition constant of acetylcholinesterase (AChE) from Torpedo californica				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50069243 (CHEMBL153934 | N-[10-(Adamantan-1-ylamino)-decyl]-...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:31:22:29:26.25.27,THB:31:26:22.23.30:29,21:22:29:26.25.27,27:26:23:28.30.29,27:28:23:26.31.25| Show InChI InChI=1S/C30H49N3O/c1-33(2)28-13-11-24(12-14-28)20-29(34)31-15-9-7-5-3-4-6-8-10-16-32-30-21-25-17-26(22-30)19-27(18-25)23-30/h11-14,25-27,32H,3-10,15-23H2,1-2H3,(H,31,34)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in human erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50069244 (CHEMBL357551 | N-[8-(Adamantan-1-ylamino)-octyl]-2...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:29:20:27:24.23.25,THB:29:24:20.21.28:27,19:20:27:24.23.25,25:24:21:26.28.27,25:26:21:24.29.23| Show InChI InChI=1S/C28H45N3O/c1-31(2)26-11-9-22(10-12-26)18-27(32)29-13-7-5-3-4-6-8-14-30-28-19-23-15-24(20-28)17-25(16-23)21-28/h9-12,23-25,30H,3-8,13-21H2,1-2H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in bovine erythrocytes				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50069245 (CHEMBL157336 | N-[12-(Adamantan-1-ylamino)-dodecyl...) Show SMILES CN(C)c1ccc(CC(=O)NCCCCCCCCCCCCNC23CC4CC(CC(C4)C2)C3)cc1 |TLB:33:24:31:28.27.29,THB:33:28:24.25.32:31,23:24:31:28.27.29,29:28:25:30.32.31,29:30:25:28.33.27| Show InChI InChI=1S/C32H53N3O/c1-35(2)30-15-13-26(14-16-30)22-31(36)33-17-11-9-7-5-3-4-6-8-10-12-18-34-32-23-27-19-28(24-32)21-29(20-27)25-32/h13-16,27-29,34H,3-12,17-25H2,1-2H3,(H,33,36)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Strutturistica Chimica G. Giacomello Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of acetylcholinesterase (AChE) in electric eel				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair