BDBM50444301 CHEMBL3093809

SMILES: CCC(CC)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1

InChI Key: InChIKey=VGUTYPBCRKTNBN-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 = 50444301   

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))	BDBM50444301 (CHEMBL3093809) Show SMILES CCC(CC)C(=O)Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1 Show InChI InChI=1S/C25H24N2O3S2/c1-3-17(4-2)24(29)30-22-15-27(18-10-6-5-7-11-18)19(14-21(22)28)16-31-25-26-20-12-8-9-13-23(20)32-25/h5-15,17H,3-4,16H2,1-2H3	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	300	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