BDBM50179753 (S)-4-Methyl-2-{(S)-2-[2-(10H-phenothiazin-2-yloxy)-acetylamino]-pentanoylamino}-pentanoic acid ((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide::CHEMBL412566

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

InChI Key: InChIKey=AYSDUNWXRUGZRO-WZPYTOSHSA-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 = 50179753   

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))	BDBM50179753 ((S)-4-Methyl-2-{(S)-2-[2-(10H-phenothiazin-2-yloxy...) Show SMILES CCC[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O6S/c1-4-7-20(27(35)33-23(14-17(2)3)28(36)32-21-12-13-38-29(21)37)31-26(34)16-39-18-10-11-25-22(15-18)30-19-8-5-6-9-24(19)40-25/h5-6,8-11,15,17,20-21,23,29-30,37H,4,7,12-14,16H2,1-3H3,(H,31,34)(H,32,36)(H,33,35)/t20-,21-,23-,29?/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	151	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