BDBM50287697 (4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrido[1,2-a]azepine-4-carboxylic acid::CHEMBL64847::MDL-28102

SMILES: OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21

InChI Key: InChIKey=VOBYAAOXHXIEJG-VFXSIBAZSA-N

Data: 1 KI  1 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 = 50287697   

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))	BDBM50287697 ((4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...) Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21 Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50287697 ((4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...) Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21 Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					More data for this Ligand-Target Pair