BDBM50053841 2-Diphenylacetylamino-4-methyl-pentanoic acid [1-benzyl-2-(2-hydroxy-2-phenyl-ethylcarbamoyl)-2-oxo-ethyl]-amide::CHEMBL339869

SMILES: CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1

InChI Key: InChIKey=OSJGWTONJNKRHY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50053841   

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
Cathepsin B (Bos taurus (bovine))	BDBM50053841 (2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...) Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C38H41N3O5/c1-26(2)23-32(41-37(45)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30)36(44)40-31(24-27-15-7-3-8-16-27)35(43)38(46)39-25-33(42)28-17-9-4-10-18-28/h3-22,26,31-34,42H,23-25H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	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
Calpain-2 catalytic subunit (Homo sapiens (Human))	BDBM50053841 (2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...) Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C38H41N3O5/c1-26(2)23-32(41-37(45)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30)36(44)40-31(24-27-15-7-3-8-16-27)35(43)38(46)39-25-33(42)28-17-9-4-10-18-28/h3-22,26,31-34,42H,23-25H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.730	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))	BDBM50053841 (2-Diphenylacetylamino-4-methyl-pentanoic acid [1-b...) Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Show InChI InChI=1S/C38H41N3O5/c1-26(2)23-32(41-37(45)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30)36(44)40-31(24-27-15-7-3-8-16-27)35(43)38(46)39-25-33(42)28-17-9-4-10-18-28/h3-22,26,31-34,42H,23-25H2,1-2H3,(H,39,46)(H,40,44)(H,41,45)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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