BDBM50444309 CHEMBL3093818

SMILES: O=C(Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O)c1ccccc1

InChI Key: InChIKey=WNNMFZYZQRNTFY-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 = 50444309   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50444309 (CHEMBL3093818) Show SMILES O=C(Oc1coc(CSc2nnc(s2)-c2ccccc2)cc1=O)c1ccccc1 Show InChI InChI=1S/C21H14N2O4S2/c24-17-11-16(26-12-18(17)27-20(25)15-9-5-2-6-10-15)13-28-21-23-22-19(29-21)14-7-3-1-4-8-14/h1-12H,13H2	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	1.43E+4	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