BDBM50444300 CHEMBL3093808

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

InChI Key: InChIKey=WLQIUKJRTDZFJN-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 = 50444300   

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))	BDBM50444300 (CHEMBL3093808) Show SMILES O=C(Oc1cn(c(CSc2nc3ccccc3s2)cc1=O)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C26H18N2O3S2/c29-22-15-20(17-32-26-27-21-13-7-8-14-24(21)33-26)28(19-11-5-2-6-12-19)16-23(22)31-25(30)18-9-3-1-4-10-18/h1-16H,17H2	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	280	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