BDBM50098096 (3R,3aS,6aR)-3-Isopropyl-1-methanesulfonyl-5-(3-piperidin-1-yl-propionyl)-hexahydro-pyrrolo[3,4-b]pyrrol-2-one; hydrochloride::CHEMBL557364

SMILES: CC(C)[C@@H]1[C@H]2CN(C[C@@H]2N(C1=O)S(C)(=O)=O)C(=O)CCN1CCCCC1

InChI Key: InChIKey=MTJIXFTZJVJHAC-YQQAZPJKSA-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 = 50098096   

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))	BDBM50098096 ((3R,3aS,6aR)-3-Isopropyl-1-methanesulfonyl-5-(3-pi...) Show SMILES CC(C)[C@@H]1[C@H]2CN(C[C@@H]2N(C1=O)S(C)(=O)=O)C(=O)CCN1CCCCC1 Show InChI InChI=1S/C18H31N3O4S/c1-13(2)17-14-11-20(12-15(14)21(18(17)23)26(3,24)25)16(22)7-10-19-8-5-4-6-9-19/h13-15,17H,4-12H2,1-3H3/t14-,15-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoWellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory concentration against Elastase				Bioorg Med Chem Lett 11: 895-8 (2001) BindingDB Entry DOI: 10.7270/Q29C6XZ6
					More data for this Ligand-Target Pair