BDBM50223716 CHEMBL3706728

SMILES: CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1OC(C)=O

InChI Key: InChIKey=YTCWZQOLIWKUPG-KHROREGQSA-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 = 50223716   

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))	BDBM50223716 (CHEMBL3706728) Show SMILES CC(C)C[C@H](NC(=O)c1ccc2Sc3ccccc3Nc2c1)C(=O)N[C@H]1CCOC1OC(C)=O Show InChI InChI=1S/C25H29N3O5S/c1-14(2)12-20(24(31)27-18-10-11-32-25(18)33-15(3)29)28-23(30)16-8-9-22-19(13-16)26-17-6-4-5-7-21(17)34-22/h4-9,13-14,18,20,25-26H,10-12H2,1-3H3,(H,27,31)(H,28,30)/t18-,20-,25?/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	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibitory activity against on human calpain 1				Bioorg Med Chem Lett 14: 3825-8 (2004) Article DOI: 10.1016/j.bmcl.2004.04.105 BindingDB Entry DOI: 10.7270/Q2NK3DH6
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