BDBM50223717 CHEMBL3706727

SMILES: CC(C)C[C@H](NC(=O)c1cccc2Sc3ccccc3Nc12)C(=O)N[C@H]1CCOC1O

InChI Key: InChIKey=MCRUVGPFTZPESY-UYHNVOLQSA-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 = 50223717   

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
Calpain1 (Homo sapiens (Human))	BDBM50223717 (CHEMBL3706727) Show SMILES CC(C)C[C@H](NC(=O)c1cccc2Sc3ccccc3Nc12)C(=O)N[C@H]1CCOC1O Show InChI InChI=1S/C23H27N3O4S/c1-13(2)12-17(22(28)25-16-10-11-30-23(16)29)26-21(27)14-6-5-9-19-20(14)24-15-7-3-4-8-18(15)31-19/h3-9,13,16-17,23-24,29H,10-12H2,1-2H3,(H,25,28)(H,26,27)/t16-,17-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against on calpain in C6 glial cells				Bioorg Med Chem Lett 14: 3825-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.105 BindingDB Entry DOI: 10.7270/Q2NK3DH6
					More data for this Ligand-Target Pair