BDBM50130716 CHEMBL322069::Thioacetic acid S-(2-phenylcarbamoyl-propyl) ester

SMILES: CC(CSC(C)=O)C(=O)Nc1ccccc1

InChI Key: InChIKey=POOHUDYDBYYUQO-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50130716   

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 (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against neutral endopeptidase (NEP) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from rat cortex brain membrane				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair