Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50035717   

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 (Electrophorus electricus (Electric eel))	BDBM10687 ((-)-N1-norphysostigmine | (3aS)-3a,8-dimethyl-1H,2...) Show SMILES CNC(=O)Oc1ccc2N(C)C3NCC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C14H19N3O2/c1-14-6-7-16-12(14)17(3)11-5-4-9(8-10(11)14)19-13(18)15-2/h4-5,8,12,16H,6-7H2,1-3H3,(H,15,18)/t12?,14-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					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	61	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022776 (CHEMBL74620 | Methyl-carbamic acid 1-allyl-3a,8-di...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(CC=C)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C17H23N3O2/c1-5-9-20-10-8-17(2)13-11-12(22-16(21)18-3)6-7-14(13)19(4)15(17)20/h5-7,11,15H,1,8-10H2,2-4H3,(H,18,21)/t15?,17-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022775 ((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...) Show SMILES CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C Show InChI InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022772 (CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...) Show SMILES CC(C)OP(F)(=O)OC(C)C Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents	PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM10690 ((-)-N8-benzylnorphysostigmine | (3aS)-1-benzyl-3a,...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(Cc4ccccc4)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C21H25N3O2/c1-21-11-12-24(14-15-7-5-4-6-8-15)19(21)23(3)18-10-9-16(13-17(18)21)26-20(25)22-2/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)/t19?,21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022774 (CHEMBL306057 | Methyl-carbamic acid 3a,8-dimethyl-...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(CCc4ccccc4)CC[C@@]3(C)c2c1 Show InChI InChI=1S/C22H27N3O2/c1-22-12-14-25(13-11-16-7-5-4-6-8-16)20(22)24(3)19-10-9-17(15-18(19)22)27-21(26)23-2/h4-10,15,20H,11-14H2,1-3H3,(H,23,26)/t20?,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50022773 (CHEMBL77799 | Methyl-carbamic acid 3a,8-dimethyl-1...) Show SMILES CNC(=O)Oc1ccc2N(C)C3N(CC[C@@]3(C)c2c1)C(=O)NC Show InChI InChI=1S/C16H22N4O3/c1-16-7-8-20(14(21)17-2)13(16)19(4)12-6-5-10(9-11(12)16)23-15(22)18-3/h5-6,9,13H,7-8H2,1-4H3,(H,17,21)(H,18,22)/t13?,16-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase from electric eel				J Med Chem 31: 2297-300 (1989) BindingDB Entry DOI: 10.7270/Q2DZ08WZ
					More data for this Ligand-Target Pair