BDBM50281009 CHEMBL74813::[(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-oxo-2,4-dithia-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(SN2C1=O)=C\C(=O)OC(C)(C)C

InChI Key: InChIKey=DLENFYKPEDPEMB-AHKMNTGRSA-N

Data: 1 KI  1 K_off  1 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 = 50281009   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50281009 (CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) was determined				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
Neutrophil elastase (Homo sapiens (Human))	BDBM50281009 (CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/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	150	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
Neutrophil elastase (Homo sapiens (Human))	BDBM50281009 (CHEMBL74813 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-o...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2S\C(SN2C1=O)=C\C(=O)OC(C)(C)C Show InChI InChI=1S/C12H17NO4S2/c1-6(14)9-10(16)13-11(9)18-8(19-13)5-7(15)17-12(2,3)4/h5-6,9,11,14H,1-4H3/b8-5-/t6-,9+,11-/m1/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	0.00200	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