null

SMILES: C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C

InChI Key: InChIKey=NKCXCBJRIHHHST-LFYAHWRRSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50281004   

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))	BDBM50281004 (CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	3.20E+3	n/a	n/a	n/a	n/a	n/a	130	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))	BDBM50281004 (CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/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	0.000400	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Rate constant for the compound was determined 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))	BDBM50281004 (CHEMBL419820 | [(5R,6S)-6-((R)-1-Hydroxy-ethyl)-7-...) Show SMILES C[C@@H](O)[C@@H]1[C@H]2C\C(SN2C1=O)=C/C(=O)OC(C)(C)C Show InChI InChI=1S/C13H19NO4S/c1-7(15)11-9-5-8(19-14(9)12(11)17)6-10(16)18-13(2,3)4/h6-7,9,11,15H,5H2,1-4H3/b8-6+/t7-,9-,11-/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	130	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