BDBM50179752 (S)-2-((R)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3-methylbutanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL204398

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

InChI Key: InChIKey=NTZYOTXUVHBKSM-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 = 50179752   

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))	BDBM50179752 ((S)-2-((R)-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(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C29H38N4O6S/c1-16(2)13-22(27(35)31-20-11-12-38-29(20)37)32-28(36)26(17(3)4)33-25(34)15-39-18-9-10-24-21(14-18)30-19-7-5-6-8-23(19)40-24/h5-10,14,16-17,20,22,26,29-30,37H,11-13,15H2,1-4H3,(H,31,35)(H,32,36)(H,33,34)/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	553	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