Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50179746   

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))	BDBM50179746 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) Show SMILES CC[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C28H36N4O6S/c1-4-18(26(34)32-22(13-16(2)3)27(35)31-20-11-12-37-28(20)36)30-25(33)15-38-17-9-10-24-21(14-17)29-19-7-5-6-8-23(19)39-24/h5-10,14,16,18,20,22,28-29,36H,4,11-13,15H2,1-3H3,(H,30,33)(H,31,35)(H,32,34)/t18-,20-,22-,28?/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	88.6	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
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