BDBM50366611 CHEMBL1794816

SMILES: O[C@H]1O[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N2[C@@H]1Cc1ccccc1

InChI Key: InChIKey=ZGAOPMPDDPLYIS-HIUFNZKISA-N

Data: 1 KI

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 = 50366611   

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))	BDBM50366611 (CHEMBL1794816) Show SMILES O[C@H]1O[C@@H]2CCC[C@H](NC(=O)OCc3ccccc3)C(=O)N2[C@@H]1Cc1ccccc1 Show InChI InChI=1S/C23H26N2O5/c26-21-18(24-23(28)29-15-17-10-5-2-6-11-17)12-7-13-20-25(21)19(22(27)30-20)14-16-8-3-1-4-9-16/h1-6,8-11,18-20,22,27H,7,12-15H2,(H,24,28)/t18-,19+,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
					More data for this Ligand-Target Pair