BDBM50042837 6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradecane-3-carboxylic acid::CHEMBL421664

SMILES: OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1

InChI Key: InChIKey=QUJBSFHTAGTYEJ-KIYNQFGBSA-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 = 50042837   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50042837 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested in vitro for the inhibition of angiotensin converting enzyme from rabbit lung				J Med Chem 36: 3829-33 (1994) BindingDB Entry DOI: 10.7270/Q2125RRG
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042837 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney				J Med Chem 36: 3829-33 (1994) BindingDB Entry DOI: 10.7270/Q2125RRG
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50042837 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney				J Med Chem 36: 3829-33 (1994) BindingDB Entry DOI: 10.7270/Q2125RRG
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50042837 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotetradeca...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C14H25NO3S2/c16-13-11(9-19)7-5-3-1-2-4-6-8-20-10-12(15-13)14(17)18/h11-12,19H,1-10H2,(H,15,16)(H,17,18)/t11?,12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	167	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Tested in vitro for the inhibition against neutral endopeptidase (NEP) from rat kidney				J Med Chem 36: 3829-33 (1994) BindingDB Entry DOI: 10.7270/Q2125RRG
					More data for this Ligand-Target Pair