BDBM50179748 (S)-4-methyl-2-[(S)-4-methyl-2-(3-10H-phenothiazin-2-yl-propionylamino)-pentanoylamino]-pentanoic acid ((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide::CHEMBL206453

SMILES: CC(C)C[C@H](NC(=O)CCc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=ZOBGGAIYJYPPGQ-ZVUCNBDQSA-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 = 50179748   

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))	BDBM50179748 ((S)-4-methyl-2-[(S)-4-methyl-2-(3-10H-phenothiazin...) Show SMILES CC(C)C[C@H](NC(=O)CCc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C31H42N4O5S/c1-18(2)15-24(29(37)35-25(16-19(3)4)30(38)34-22-13-14-40-31(22)39)33-28(36)12-10-20-9-11-27-23(17-20)32-21-7-5-6-8-26(21)41-27/h5-9,11,17-19,22,24-25,31-32,39H,10,12-16H2,1-4H3,(H,33,36)(H,34,38)(H,35,37)/t22-,24-,25-,31?/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	150	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