null

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12

InChI Key: InChIKey=SFZKIYLOJIJGLV-UJFIBADZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50053791   

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))	BDBM50053791 (CHEMBL132566 | [1-(1-Benzyl-2-oxo-2-{2-[5-((3aR,6S...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C36H48N6O7S/c1-23(2)19-27(41-36(48)49-21-25-13-7-4-8-14-25)33(45)39-26(20-24-11-5-3-6-12-24)32(44)34(46)38-18-17-37-30(43)16-10-9-15-29-31-28(22-50-29)40-35(47)42-31/h3-8,11-14,23,26-29,31H,9-10,15-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,41,48)(H2,40,42,47)/t26?,27?,28-,29-,31-/m0/s1	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))	BDBM50053791 (CHEMBL132566 | [1-(1-Benzyl-2-oxo-2-{2-[5-((3aR,6S...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C36H48N6O7S/c1-23(2)19-27(41-36(48)49-21-25-13-7-4-8-14-25)33(45)39-26(20-24-11-5-3-6-12-24)32(44)34(46)38-18-17-37-30(43)16-10-9-15-29-31-28(22-50-29)40-35(47)42-31/h3-8,11-14,23,26-29,31H,9-10,15-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,41,48)(H2,40,42,47)/t26?,27?,28-,29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	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 (Bos taurus (bovine))	BDBM50053791 (CHEMBL132566 | [1-(1-Benzyl-2-oxo-2-{2-[5-((3aR,6S...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 Show InChI InChI=1S/C36H48N6O7S/c1-23(2)19-27(41-36(48)49-21-25-13-7-4-8-14-25)33(45)39-26(20-24-11-5-3-6-12-24)32(44)34(46)38-18-17-37-30(43)16-10-9-15-29-31-28(22-50-29)40-35(47)42-31/h3-8,11-14,23,26-29,31H,9-10,15-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,41,48)(H2,40,42,47)/t26?,27?,28-,29-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.230	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 bovine 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