Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 339.4 BDBM50190740

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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
Neprilysin (Homo sapiens (Human))	BDBM50190740 (2-((1-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)car...) Show SMILES CCCC(CC1(CCCC1)C(=O)NCc1nnc(C)s1)C(O)=O Show InChI InChI=1S/C16H25N3O3S/c1-3-6-12(14(20)21)9-16(7-4-5-8-16)15(22)17-10-13-19-18-11(2)23-13/h12H,3-10H2,1-2H3,(H,17,22)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of dog NEP				J Med Chem 49: 4409-24 (2006) Article DOI: 10.1021/jm060133g BindingDB Entry DOI: 10.7270/Q2930SS8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50190740 (2-((1-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)car...) Show SMILES CCCC(CC1(CCCC1)C(=O)NCc1nnc(C)s1)C(O)=O Show InChI InChI=1S/C16H25N3O3S/c1-3-6-12(14(20)21)9-16(7-4-5-8-16)15(22)17-10-13-19-18-11(2)23-13/h12H,3-10H2,1-2H3,(H,17,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of dog ACE				J Med Chem 49: 4409-24 (2006) Article DOI: 10.1021/jm060133g BindingDB Entry DOI: 10.7270/Q2930SS8
					More data for this Ligand-Target Pair