Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50114337'   

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-1 catalytic subunit (Sus scrofa (pig))	BDBM50114337 ((S)-2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-{...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)C=NN1CCOCC1 |w:24.25| Show InChI InChI=1S/C21H33FN4O4S/c1-15(2)13-18(14-23-26-9-11-30-12-10-26)24-21(27)20(16(3)4)25-31(28,29)19-7-5-17(22)6-8-19/h5-8,14-16,18,20,25H,9-13H2,1-4H3,(H,24,27)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co., Ltd. Curated by ChEMBL					Assay Description Tested for inhibitory activity against porcine erythrocyte Mu-calpain				Bioorg Med Chem Lett 12: 1603-6 (2002) BindingDB Entry DOI: 10.7270/Q20K27WS
					More data for this Ligand-Target Pair