BDBM50179749 (S)-2-(2-(2-(10H-phenothiazin-2-yloxy)acetamido)acetamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL204883

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

InChI Key: InChIKey=YTSRZPGVQKOFFF-IGHKPKNTSA-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 = 50179749   

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))	BDBM50179749 ((S)-2-(2-(2-(10H-phenothiazin-2-yloxy)acetamido)ac...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C26H32N4O6S/c1-15(2)11-20(25(33)30-18-9-10-35-26(18)34)29-23(31)13-27-24(32)14-36-16-7-8-22-19(12-16)28-17-5-3-4-6-21(17)37-22/h3-8,12,15,18,20,26,28,34H,9-11,13-14H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/t18-,20-,26?/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	8	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