BDBM50406237 CHEMBL343003

SMILES: CCSc1nc2cc(CC)ccc2c(=O)o1

InChI Key: InChIKey=DUXOZKKJEKUBAV-UHFFFAOYSA-N

Data: 1 KI  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 = 50406237   

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))	BDBM50406237 (CHEMBL343003) Show SMILES CCSc1nc2cc(CC)ccc2c(=O)o1 Show InChI InChI=1S/C12H13NO2S/c1-3-8-5-6-9-10(7-8)13-12(16-4-2)15-11(9)14/h5-7H,3-4H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19.9	n/a	n/a	n/a	n/a	n/a	2.00E+6	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Component deacylation rate constant for interaction with human leukocyte elastase				J Med Chem 33: 464-79 (1990) Checked by Author BindingDB Entry DOI: 10.7270/Q2PR7X6X
					More data for this Ligand-Target Pair