BDBM50280682 (6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-methyl-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL274694

SMILES: CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O

InChI Key: InChIKey=OJDXKBJOHNWAJF-JOYOIKCWSA-N

Data: 4 K_on

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 = 50280682   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50280682 ((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O |t:14| Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/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	n/a	n/a	n/a	n/a	90	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human leukocyte elastase II (HLE-II) as second order rate constant				Bioorg Med Chem Lett 2: 1127-1132 (1992) Article DOI: 10.1016/S0960-894X(00)80632-0 BindingDB Entry DOI: 10.7270/Q2HT2P7Q
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50280682 ((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O |t:14| Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/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	n/a	n/a	n/a	n/a	90	n/a	n/a
Pharmacia Farmitalia Carlo Erba Curated by ChEMBL					Assay Description Tested for the rate constant against Human Leukocyte Elastase (HLE) inactivation				J Med Chem 37: 4003-19 (1994) BindingDB Entry DOI: 10.7270/Q2T43S5B
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50280682 ((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O |t:14| Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/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	n/a	n/a	n/a	n/a	90	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant				Bioorg Med Chem Lett 5: 691-694 (1995) Article DOI: 10.1016/0960-894X(95)00095-B BindingDB Entry DOI: 10.7270/Q2Q2407G
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50280682 ((6R,7S)-2-(2,2-Dimethyl-propionyl)-7-methoxy-3-met...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)C(C(=O)C(C)(C)C)=C(C)CS2(=O)=O |t:14| Show InChI InChI=1S/C13H19NO5S/c1-7-6-20(17,18)12-9(19-5)11(16)14(12)8(7)10(15)13(2,3)4/h9,12H,6H2,1-5H3/t9-,12+/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	n/a	n/a	n/a	n/a	90	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant				Bioorg Med Chem Lett 5: 687-690 (1995) Article DOI: 10.1016/0960-894X(95)00094-A BindingDB Entry DOI: 10.7270/Q2TT4QXN
					More data for this Ligand-Target Pair