Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50179747   

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))	BDBM50179747 ((S)-2-((2S,3S)-2-(2-(10H-phenothiazin-2-yloxy)acet...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)O)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C28H36N4O7S/c1-15(2)12-21(26(35)30-19-10-11-38-28(19)37)31-27(36)25(16(3)33)32-24(34)14-39-17-8-9-23-20(13-17)29-18-6-4-5-7-22(18)40-23/h4-9,13,15-16,19,21,25,28-29,33,37H,10-12,14H2,1-3H3,(H,30,35)(H,31,36)(H,32,34)/t16?,19-,21-,25-,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	38	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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