BDBM50179751 (S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3,3-dimethylbutanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL206126

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

InChI Key: InChIKey=ZEPJUNYIGZQROD-YBSOJNAPSA-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 = 50179751   

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))	BDBM50179751 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(C)(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C30H40N4O6S/c1-17(2)14-22(27(36)32-20-12-13-39-29(20)38)33-28(37)26(30(3,4)5)34-25(35)16-40-18-10-11-24-21(15-18)31-19-8-6-7-9-23(19)41-24/h6-11,15,17,20,22,26,29,31,38H,12-14,16H2,1-5H3,(H,32,36)(H,33,37)(H,34,35)/t20-,22-,26+,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	354	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