BDBM50282861 (S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-propionyl]-pyrrolidine-2-carboxylic acid::CHEMBL299181

SMILES: C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O

InChI Key: InChIKey=AKSMLLXRBFIIDE-CFVMTHIKSA-N

Data: 4 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 4 hits for monomerid = 50282861   

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
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rat kidney neutral endopeptidase (NEP) by fluorometric assay using Dansyl-Gly-Phe-Arg as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for inhibition of neutral endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1789-1794 (1994) Article DOI: 10.1016/S0960-894X(01)80372-3 BindingDB Entry DOI: 10.7270/Q22Z16PQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested in vitro for inhibition of Angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 1789-1794 (1994) Article DOI: 10.1016/S0960-894X(01)80372-3 BindingDB Entry DOI: 10.7270/Q22Z16PQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50282861 ((S)-1-[(S)-2-((S)-2-Mercaptomethyl-3-phenyl-propio...) Show SMILES C[C@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(17(22)20-9-5-8-15(20)18(23)24)19-16(21)14(11-25)10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,25H,5,8-11H2,1H3,(H,19,21)(H,23,24)/t12-,14+,15-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of rabbit lung Angiotensin I converting enzyme (ACE) using Hippuryl-His-Leu as substrate				Bioorg Med Chem Lett 4: 1783-1788 (1994) Article DOI: 10.1016/S0960-894X(01)80371-1 BindingDB Entry DOI: 10.7270/Q2Z3204W
					More data for this Ligand-Target Pair