BDBM50042838 6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane-3-carboxylic acid::CHEMBL340454

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

InChI Key: InChIKey=IEXLNMCXTFFDIL-DTIOYNMSSA-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 = 50042838   

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)	BDBM50042838 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	12	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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50042838 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	72	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))	BDBM50042838 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/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	18	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 angiotensin converting enzyme (ACE) from rabbit lung				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))	BDBM50042838 (6-Mercaptomethyl-5-oxo-1-thia-4-aza-cyclotridecane...) Show SMILES OC(=O)[C@@H]1CSCCCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C13H23NO3S2/c15-12-10(8-18)6-4-2-1-3-5-7-19-9-11(14-12)13(16)17/h10-11,18H,1-9H2,(H,14,15)(H,16,17)/t10?,11-/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	190	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