Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   

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   (480/543 = 88%)† (Homo sapiens (Human))	BDBM8978 ((Propylcarbonylthioethyl)trimethylammonium iodide ...) Show SMILES CCCC(=O)SCC[N+](C)(C)C Show InChI InChI=1S/C9H20NOS/c1-5-6-9(11)12-8-7-10(2,3)4/h5-8H2,1-4H3/q+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition acetylcholinesterase (AChE) enzyme.				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase   (480/543 = 88%)† (Homo sapiens (Human))	BDBM50055164 ((2-Mercapto-ethyl)-trimethyl-ammonium; iodide | CH...) Show SMILES C[N+](C)(C)CCS Show InChI InChI=1S/C5H13NS/c1-6(2,3)4-5-7/h4-5H2,1-3H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Inhibition acetylcholinesterase (AChE) enzyme.				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair				3D Structure (crystal)

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