BDBM50179739 (S)-4-Methyl-2-{(S)-4-methyl-2-[2-(10H-phenothiazin-2-yloxy)-acetylamino]-pentanoylamino}-pentanoic acid ((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide::(S)-4-Methyl-2-{(S)-4-methyl-2-[2-(10H-phenothiazin-2-yloxy)-acetylamino]-pentanoylamino}-pentanoic acid((S)-2-hydroxy-tetrahydro-furan-3-yl)-amide::CHEMBL203632

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

InChI Key: InChIKey=FYLLWVNXHDSOBP-XIIWGJLCSA-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 = 50179739   

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))	BDBM50179739 ((S)-4-Methyl-2-{(S)-4-methyl-2-[2-(10H-phenothiazi...) Show SMILES CC(C)C[C@H](NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C30H40N4O6S/c1-17(2)13-23(28(36)34-24(14-18(3)4)29(37)33-21-11-12-39-30(21)38)32-27(35)16-40-19-9-10-26-22(15-19)31-20-7-5-6-8-25(20)41-26/h5-10,15,17-18,21,23-24,30-31,38H,11-14,16H2,1-4H3,(H,32,35)(H,33,37)(H,34,36)/t21-,23-,24-,30?/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	105	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