Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1' and Ligand = 'BDBM50093802'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain small subunit 1 (Sus scrofa)	BDBM50093802 (CHEMBL82887 | [(1R,2S)-1-((S)-1-Benzyl-2-oxo-2-phe...) Show SMILES CC(C)[C@@H]1C[C@]1(NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H37N3O5/c1-23(2)27-21-33(27,36-32(40)41-22-26-16-10-5-11-17-26)31(39)35-28(20-25-14-8-4-9-15-25)29(37)30(38)34-19-18-24-12-6-3-7-13-24/h3-17,23,27-28H,18-22H2,1-2H3,(H,34,38)(H,35,39)(H,36,40)/t27-,28-,33+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description The compound was evaluated for inhibition of Calpain 1 from porcine erythrocytes				Bioorg Med Chem Lett 10: 2497-500 (2001) BindingDB Entry DOI: 10.7270/Q2QF8S4Z
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