BDBM50098097 (3R,3aS,6aR)-1-Methanesulfonyl-5-(3-piperidin-1-yl-propionyl)-3-propyl-hexahydro-pyrrolo[3,4-b]pyrrol-2-one; hydrochloride::CHEMBL558365

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

InChI Key: InChIKey=WCULAPXXILFUOW-OAGGEKHMSA-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 = 50098097   

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))	BDBM50098097 ((3R,3aS,6aR)-1-Methanesulfonyl-5-(3-piperidin-1-yl...) Show SMILES CCC[C@@H]1[C@H]2CN(C[C@@H]2N(C1=O)S(C)(=O)=O)C(=O)CCN1CCCCC1 Show InChI InChI=1S/C18H31N3O4S/c1-3-7-14-15-12-20(13-16(15)21(18(14)23)26(2,24)25)17(22)8-11-19-9-5-4-6-10-19/h14-16H,3-13H2,1-2H3/t14-,15-,16+/m1/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	120	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