BDBM50179740 (S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-2-phenylacetamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL203448

SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)c1ccccc1)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=ODVBWVUZXJFGFP-XFXCTGMDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50179740   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain 1/small subunit 1 (Homo sapiens (Human))	BDBM50179740 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)c1ccccc1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C32H36N4O6S/c1-19(2)16-25(30(38)34-23-14-15-41-32(23)40)35-31(39)29(20-8-4-3-5-9-20)36-28(37)18-42-21-12-13-27-24(17-21)33-22-10-6-7-11-26(22)43-27/h3-13,17,19,23,25,29,32-33,40H,14-16,18H2,1-2H3,(H,34,38)(H,35,39)(H,36,37)/t23-,25-,29-,32?/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	222	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