BDBM50286678 (2S,2aR)-7-tert-Butyl-2-methoxy-3,3-dioxo-2,2a,3,4-tetrahydro-3lambda*6*,6-dithia-7b-aza-cyclobuta[e]inden-1-one::CHEMBL159512

SMILES: CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)csc1C(C)(C)C

InChI Key: InChIKey=ZKISBSZDMUDUJI-JOYOIKCWSA-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 = 50286678   

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))	BDBM50286678 ((2S,2aR)-7-tert-Butyl-2-methoxy-3,3-dioxo-2,2a,3,4...) Show SMILES CO[C@@H]1[C@@H]2N(C1=O)c1c(CS2(=O)=O)csc1C(C)(C)C Show InChI InChI=1S/C13H17NO4S2/c1-13(2,3)10-8-7(5-19-10)6-20(16,17)12-9(18-4)11(15)14(8)12/h5,9,12H,6H2,1-4H3/t9-,12+/m0/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	80	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against human leukocyte elastase (HLE) expressed as second order inhibition rate constant				Bioorg Med Chem Lett 5: 691-694 (1995) Article DOI: 10.1016/0960-894X(95)00095-B BindingDB Entry DOI: 10.7270/Q2Q2407G
					More data for this Ligand-Target Pair