BDBM50291944 (S)-2-(2,2-Dimethyl-propionyl)-3-(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-[1,2,4]triazin-3-ylsulfanylmethyl)-7-methoxy-5,5-dioxo-5lambda*6*-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one::CHEMBL131342

SMILES: CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O

InChI Key: InChIKey=VAXLTVRAJAPMMZ-MYHCZTBNSA-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 = 50291944   

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))	BDBM50291944 ((S)-2-(2,2-Dimethyl-propionyl)-3-(6-hydroxy-2-meth...) Show SMILES CO[C@@H]1C2N(C1=O)C(C(=O)C(C)(C)C)=C(CSc1nc(=O)c(=O)[nH]n1C)CS2(=O)=O |t:14| Show InChI InChI=1S/C17H22N4O7S2/c1-17(2,3)11(22)9-8(6-29-16-18-12(23)13(24)19-20(16)4)7-30(26,27)15-10(28-5)14(25)21(9)15/h10,15H,6-7H2,1-5H3,(H,19,24)/t10-,15?/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	4.5	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