BDBM50041067 2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylamino]-propionic acid::CHEMBL11297

SMILES: CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O

InChI Key: InChIKey=JKWVBLJSYGPJLY-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50041067   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neprilysin (Homo sapiens (Human))	BDBM50041067 (2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041067 (2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair