BDBM50291946 Acetic acid (4S,7S)-7-chloro-2-(2,2-dimethyl-propionyl)-4-(1-methyl-1H-tetrazol-5-ylsulfanyl)-5,5,8-trioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-3-ylmethyl ester::CHEMBL132327

SMILES: CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)C(C)(C)C

InChI Key: InChIKey=VLRIANDWYFZNGP-NCMRHJMASA-N

Data: 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 1 hit for monomerid = 50291946   

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))	BDBM50291946 (Acetic acid (4S,7S)-7-chloro-2-(2,2-dimethyl-propi...) Show SMILES CC(=O)OCC1=C(N2C([C@@H](Cl)C2=O)S(=O)(=O)[C@@H]1Sc1nnnn1C)C(=O)C(C)(C)C |t:5| Show InChI InChI=1S/C16H20ClN5O6S2/c1-7(23)28-6-8-10(11(24)16(2,3)4)22-12(25)9(17)13(22)30(26,27)14(8)29-15-18-19-20-21(15)5/h9,13-14H,6H2,1-5H3/t9-,13?,14-/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	5.70	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