Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50034790   

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))	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	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					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	Article	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					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	Article	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50284429 (2-Hex-5-enyl-5-nonyl-pyrrolidine | CHEMBL417618) Show SMILES CCCCCCCCCC1CCC(CCCCC=C)N1 Show InChI InChI=1S/C19H37N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h4,18-20H,2-3,5-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50284428 (2-Hex-5-enyl-5-non-8-enyl-pyrrolidine | CHEMBL1459...) Show SMILES C=CCCCCCCCC1CCC(CCCCC=C)N1 Show InChI InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18-20H,1-2,5-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50284427 (5-Hex-5-enyl-2-nonyl-3,4-dihydro-2H-pyrrole | CHEM...) Show SMILES CCCCCCCCCC1CCC(CCCCC=C)=N1 |c:18| Show InChI InChI=1S/C19H35N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h4,19H,2-3,5-17H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50284426 (2-Hex-5-enyl-5-non-8-enyl-3,4-dihydro-2H-pyrrole |...) Show SMILES C=CCCCCCCCC1=NC(CCCCC=C)CC1 |t:9| Show InChI InChI=1S/C19H33N/c1-3-5-7-9-10-11-13-15-19-17-16-18(20-19)14-12-8-6-4-2/h3-4,18H,1-2,5-17H2	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for in vitro inhibition of acetylcholinesterase				Bioorg Med Chem Lett 5: 1131-1132 (1995) Article DOI: 10.1016/0960-894X(95)00179-W BindingDB Entry DOI: 10.7270/Q2W37WTW
					More data for this Ligand-Target Pair