Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain small subunit 1/1 catalytic subunit' and Ligand = 'BDBM50179745'   

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 1/1 catalytic subunit (Homo sapiens (Human))	BDBM50179745 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C27H34N4O6S/c1-15(2)12-21(26(34)30-19-10-11-36-27(19)35)31-25(33)16(3)28-24(32)14-37-17-8-9-23-20(13-17)29-18-6-4-5-7-22(18)38-23/h4-9,13,15-16,19,21,27,29,35H,10-12,14H2,1-3H3,(H,28,32)(H,30,34)(H,31,33)/t16-,19-,21-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibition of isolated human calpain1				Bioorg Med Chem Lett 16: 1586-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.036 BindingDB Entry DOI: 10.7270/Q2T15367
					More data for this Ligand-Target Pair