null

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO

InChI Key: InChIKey=ITIYFQNKFLZJTC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053837   

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-2 catalytic subunit (Homo sapiens (Human))	BDBM50053837 ((1-{1-[2-(2-Hydroxy-ethoxy)-ethylaminooxalyl]-prop...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO Show InChI InChI=1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of Cysteine protease Calpain 2				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50053837 ((1-{1-[2-(2-Hydroxy-ethoxy)-ethylaminooxalyl]-prop...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO Show InChI InChI=1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of the cysteine protease human Calpain 1				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50053837 ((1-{1-[2-(2-Hydroxy-ethoxy)-ethylaminooxalyl]-prop...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO Show InChI InChI=1S/C23H35N3O7/c1-4-18(20(28)22(30)24-10-12-32-13-11-27)25-21(29)19(14-16(2)3)26-23(31)33-15-17-8-6-5-7-9-17/h5-9,16,18-19,27H,4,10-15H2,1-3H3,(H,24,30)(H,25,29)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
					More data for this Ligand-Target Pair