Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50287391'   

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))	BDBM50287391 ((R)-4-Methyl-2-[2-oxo-2-(9H-xanthen-9-yl)-ethyl]-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)CC(=O)C1c2ccccc2Oc2ccccc12)C=O Show InChI InChI=1S/C27H33NO4/c1-17(2)13-19(27(31)28-20(16-29)14-18(3)4)15-23(30)26-21-9-5-7-11-24(21)32-25-12-8-6-10-22(25)26/h5-12,16-20,26H,13-15H2,1-4H3,(H,28,31)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of the compound was determined using recombinant human Calpain 1 with Suc-Leu-Tyr-MNA as substrate.				Bioorg Med Chem Lett 7: 287-290 (1997) Article DOI: 10.1016/S0960-894X(97)00003-6 BindingDB Entry DOI: 10.7270/Q2KS6RJC
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50287391 ((R)-4-Methyl-2-[2-oxo-2-(9H-xanthen-9-yl)-ethyl]-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)CC(=O)C1c2ccccc2Oc2ccccc12)C=O Show InChI InChI=1S/C27H33NO4/c1-17(2)13-19(27(31)28-20(16-29)14-18(3)4)15-23(30)26-21-9-5-7-11-24(21)32-25-12-8-6-10-22(25)26/h5-12,16-20,26H,13-15H2,1-4H3,(H,28,31)/t19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity of compound against recombinant human Calpain 1				Bioorg Med Chem Lett 6: 1619-1622 (1996) Article DOI: 10.1016/S0960-894X(96)00286-7 BindingDB Entry DOI: 10.7270/Q2RN37V7
					More data for this Ligand-Target Pair