BDBM50404829 CHEMBL442750

SMILES: OC(=O)[C@@H]1CCC(=O)N1CCCS

InChI Key: InChIKey=SJCJKOQECKPGJR-LURJTMIESA-N

Data: 3 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 3 hits for monomerid = 50404829   

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)	BDBM50404829 (CHEMBL442750) Show SMILES OC(=O)[C@@H]1CCC(=O)N1CCCS Show InChI InChI=1S/C8H13NO3S/c10-7-3-2-6(8(11)12)9(7)4-1-5-13/h6,13H,1-5H2,(H,11,12)/t6-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme in rabbit lung, using hippuryl-histidyl-leucine as substrate				J Med Chem 25: 250-8 (1982) BindingDB Entry DOI: 10.7270/Q28053SJ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50404829 (CHEMBL442750) Show SMILES OC(=O)[C@@H]1CCC(=O)N1CCCS Show InChI InChI=1S/C8H13NO3S/c10-7-3-2-6(8(11)12)9(7)4-1-5-13/h6,13H,1-5H2,(H,11,12)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+9	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of angiotensin I converting enzyme in silico				J Med Chem 40: 3161-72 (1997) Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50404829 (CHEMBL442750) Show SMILES OC(=O)[C@@H]1CCC(=O)N1CCCS Show InChI InChI=1S/C8H13NO3S/c10-7-3-2-6(8(11)12)9(7)4-1-5-13/h6,13H,1-5H2,(H,11,12)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair