Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50069244'   

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...)	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...)	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))	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))	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))	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 brain				Bioorg Med Chem Lett 8: 575-80 (1999) BindingDB Entry DOI: 10.7270/Q2S181N2
					More data for this Ligand-Target Pair