BDBM50015876 7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester::CHEMBL84768

SMILES: CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C

InChI Key: InChIKey=BLNBFCPVEGNWAN-GXTWGEPZSA-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 = 50015876   

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
Trypsin (Bos taurus (bovine))	BDBM50015876 (7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of Trypsin				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa (Pig))	BDBM50015876 (7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of porcine pancreatic elastase (PPE)				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
					More data for this Ligand-Target Pair
Alpha-chymotrypsin (Bos taurus (bovine))	BDBM50015876 (7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of bovine alpha-chymotrypsin (ChT)				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50015876 (7-Acetoxy-3-acetoxymethyl-5,5,8-trioxo-5lambda*6*-...) Show SMILES CC(=O)OCC1=C(N2[C@@H]([C@@H](OC(C)=O)C2=O)S(=O)(=O)C1)C(=O)OC(C)(C)C |t:5| Show InChI InChI=1S/C16H21NO9S/c1-8(18)24-6-10-7-27(22,23)14-12(25-9(2)19)13(20)17(14)11(10)15(21)26-16(3,4)5/h12,14H,6-7H2,1-5H3/t12-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration which is required to cause 50% inhibition of human leukocyte elastase (HLE) enzyme				J Med Chem 33: 2513-21 (1990) BindingDB Entry DOI: 10.7270/Q2Q81C2Q
					More data for this Ligand-Target Pair