BDBM50175214 (2R,3R)-diethyl 1-((2S)-3-(azetidin-1-yl)-2-(tert-butoxycarbonyl)-4-methylpentanoyl)aziridine-2,3-dicarboxylate::CHEMBL197012

SMILES: CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1)C(=O)OCC

InChI Key: InChIKey=QYVDGKMGELXWPY-ORBLICNNSA-N

Data: 1 KI

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 = 50175214   

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
Procathepsin L (Homo sapiens (Human))	BDBM50175214 ((2R,3R)-diethyl 1-((2S)-3-(azetidin-1-yl)-2-(tert-...) Show SMILES CCOC(=O)[C@H]1[C@@H](N1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C(C)C)N1CCC1)C(=O)OCC Show InChI InChI=1S/C22H37N3O7/c1-8-30-19(27)16-17(20(28)31-9-2)25(16)18(26)14(23-21(29)32-22(5,6)7)15(13(3)4)24-11-10-12-24/h13-17H,8-12H2,1-7H3,(H,23,29)/t14-,15?,16+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin L				Bioorg Med Chem Lett 15: 5365-9 (2005) Article DOI: 10.1016/j.bmcl.2005.09.012 BindingDB Entry DOI: 10.7270/Q2XP74HX
					More data for this Ligand-Target Pair