BDBM50179743 (S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamido)-3-hydroxypropanamido)-N-((3S)-2-hydroxy-tetrahydrofuran-3-yl)-4-methylpentanamide::CHEMBL383110

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

InChI Key: InChIKey=BPDWJQKYAHEPMF-JDOXGFRHSA-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 = 50179743   

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))	BDBM50179743 ((S)-2-((S)-2-(2-(10H-phenothiazin-2-yloxy)acetamid...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)COc1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C27H34N4O7S/c1-15(2)11-20(25(34)30-18-9-10-37-27(18)36)31-26(35)21(13-32)29-24(33)14-38-16-7-8-23-19(12-16)28-17-5-3-4-6-22(17)39-23/h3-8,12,15,18,20-21,27-28,32,36H,9-11,13-14H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)/t18-,20-,21-,27?/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	48.7	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