Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for entry = 50002686   

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 (Rattus norvegicus (rat))	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase using rat striatal preparations				J Med Chem 31: 1278-9 (1988) BindingDB Entry DOI: 10.7270/Q25D8QTS
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM9347 ((2Z)-but-2-enedioic acid; 9-amino-1,2,3,4-tetrahyd...) Show SMILES Nc1c2C(O)CCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst-Roussel Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against acetylcholinesterase using rat striatal preparations				J Med Chem 31: 1278-9 (1988) BindingDB Entry DOI: 10.7270/Q25D8QTS
					More data for this Ligand-Target Pair