BDBM50281003 CHEMBL306859::[(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-oxo-4-thia-1-aza-bicyclo[3.2.0]hept-(3Z)-ylidene]-acetic acid tert-butyl ester

SMILES: C[C@@H](O)[C@@H]1[C@H]2S\C(CN2C1=O)=C/C(=O)OC(C)(C)C

InChI Key: InChIKey=HLUWUSUPMJWTQS-IWUMPYGWSA-N

Data: 1 KI  1 K_off  2 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 3 hits for monomerid = 50281003   

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))	BDBM50281003 (CHEMBL306859 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(CN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)10-11(17)14-6-8(19-12(10)14)5-9(16)18-13(2,3)4/h5,7,10,12,15H,6H2,1-4H3/b8-5-/t7-,10+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.00E+3	n/a	n/a	n/a	n/a	n/a	170	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281003 (CHEMBL306859 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(CN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)10-11(17)14-6-8(19-12(10)14)5-9(16)18-13(2,3)4/h5,7,10,12,15H,6H2,1-4H3/b8-5-/t7-,10+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	0.000670	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair
Leukocyte elastase (Homo sapiens (Human))	BDBM50281003 (CHEMBL306859 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(CN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)10-11(17)14-6-8(19-12(10)14)5-9(16)18-13(2,3)4/h5,7,10,12,15H,6H2,1-4H3/b8-5-/t7-,10+,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	n/a	n/a	n/a	n/a	170	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined (k2/ki) against human leukocyte elastase (HLE)				Bioorg Med Chem Lett 3: 2271-2276 (1993) Article DOI: 10.1016/S0960-894X(01)80938-0 BindingDB Entry DOI: 10.7270/Q21N812T
					More data for this Ligand-Target Pair