Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50105251'   

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 (Homo sapiens (Human))	BDBM50105251 (2-Benzyl-6,7-dimethoxy-1,1-dioxo-1,2,3,4-tetrahydr...) Show SMILES COc1cc2CC(N(Cc3ccccc3)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C27H28N2O6S/c1-34-24-15-21-14-23(27(31)28-22(18-30)13-19-9-5-3-6-10-19)29(17-20-11-7-4-8-12-20)36(32,33)26(21)16-25(24)35-2/h3-12,15-16,18,22-23H,13-14,17H2,1-2H3,(H,28,31)/t22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity towards human calpain I				J Med Chem 44: 3488-503 (2001) BindingDB Entry DOI: 10.7270/Q2G44PKR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50105251 (2-Benzyl-6,7-dimethoxy-1,1-dioxo-1,2,3,4-tetrahydr...) Show SMILES COc1cc2CC(N(Cc3ccccc3)S(=O)(=O)c2cc1OC)C(=O)N[C@@H](Cc1ccccc1)C=O Show InChI InChI=1S/C27H28N2O6S/c1-34-24-15-21-14-23(27(31)28-22(18-30)13-19-9-5-3-6-10-19)29(17-20-11-7-4-8-12-20)36(32,33)26(21)16-25(24)35-2/h3-12,15-16,18,22-23H,13-14,17H2,1-2H3,(H,28,31)/t22-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity towards human calpain I				J Med Chem 44: 3488-503 (2001) BindingDB Entry DOI: 10.7270/Q2G44PKR
					More data for this Ligand-Target Pair