BDBM50444307 CHEMBL3093816

SMILES: CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3o2)cc1=O

InChI Key: InChIKey=NIVRVFVVWWFNIB-UHFFFAOYSA-N

Data: 1 IC50

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 = 50444307   

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))	BDBM50444307 (CHEMBL3093816) Show SMILES CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3o2)cc1=O Show InChI InChI=1S/C18H17NO5S/c1-18(2,3)16(21)23-15-9-22-11(8-13(15)20)10-25-17-19-12-6-4-5-7-14(12)24-17/h4-9H,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of human neutrophil elastase using MeO-Suc-Ala-Ala-Pro-Val-AMC as substrate incubated for 30 mins prior to substrate addition measured for...				J Med Chem 56: 9802-6 (2014) Article DOI: 10.1021/jm4011725 BindingDB Entry DOI: 10.7270/Q2RX9DJ9
					More data for this Ligand-Target Pair