BDBM50281044 (2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-sulfonyloxy)-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester::CHEMBL416849

SMILES: Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O

InChI Key: InChIKey=DUGNTOIZHKXVCZ-CMKODMSKSA-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 = 50281044   

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
Pancreatic elastase (Sus scrofa)	BDBM50281044 ((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine Pancreatic elastase with 10 min preincubation				Bioorg Med Chem Lett 5: 2033-2036 (1995) Article DOI: 10.1016/0960-894X(95)00347-V BindingDB Entry DOI: 10.7270/Q21Z44D4
					More data for this Ligand-Target Pair
Pancreatic elastase (Sus scrofa)	BDBM50281044 ((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of porcine Pancreatic elastase without preincubation				Bioorg Med Chem Lett 5: 2033-2036 (1995) Article DOI: 10.1016/0960-894X(95)00347-V BindingDB Entry DOI: 10.7270/Q21Z44D4
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281044 ((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested in vitro for its ability to inhibit human leukocyte elastase (HLE)				Bioorg Med Chem Lett 5: 2033-2036 (1995) Article DOI: 10.1016/0960-894X(95)00347-V BindingDB Entry DOI: 10.7270/Q21Z44D4
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281044 ((2S,5R,6S)-3,3-Dimethyl-4,4,7-trioxo-6-(toluene-4-...) Show SMILES Cc1ccc(cc1)S(=O)(=O)O[C@@H]1[C@@H]2N([C@@H](C(=O)OCc3ccccc3)C(C)(C)S2(=O)=O)C1=O Show InChI InChI=1S/C22H23NO8S2/c1-14-9-11-16(12-10-14)33(28,29)31-17-19(24)23-18(22(2,3)32(26,27)20(17)23)21(25)30-13-15-7-5-4-6-8-15/h4-12,17-18,20H,13H2,1-3H3/t17-,18-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration required against Human Leukocyte Elastase (HLE) for 50% reduction in rate of hydrolysis of (suc-Ala-Ala-Pro-Ala-p-NA) peptid...				Bioorg Med Chem Lett 3: 2283-2288 (1993) Article DOI: 10.1016/S0960-894X(01)80940-9 BindingDB Entry DOI: 10.7270/Q2S46RW5
					More data for this Ligand-Target Pair