BDBM50080210 Acetic acid (4S,5S)-4-benzyl-3-(2-benzyloxycarbonylamino-3-methyl-butyryl)-oxazolidin-5-yl ester::CHEMBL80676

SMILES: CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](OC(C)=O)[C@@H]1Cc1ccccc1

InChI Key: InChIKey=NVKJQZDPANYIKB-WKJLPXBYSA-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 = 50080210   

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
Calpain1 (Homo sapiens (Human))	BDBM50080210 (Acetic acid (4S,5S)-4-benzyl-3-(2-benzyloxycarbony...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CO[C@@H](OC(C)=O)[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C25H30N2O6/c1-17(2)22(26-25(30)31-15-20-12-8-5-9-13-20)23(29)27-16-32-24(33-18(3)28)21(27)14-19-10-6-4-7-11-19/h4-13,17,21-22,24H,14-16H2,1-3H3,(H,26,30)/t21-,22?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair