BDBM50053836 (1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hydroxy-ethylcarbamoyl]-2-oxo-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL133806

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

InChI Key: InChIKey=OCIZFJKKIPDOAQ-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 = 50053836   

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))	BDBM50053836 ((1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hyd...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C46H49N3O8/c1-32(2)25-39(49-46(54)57-31-36-21-13-6-14-22-36)44(52)48-38(26-33-15-7-3-8-16-33)43(51)45(53)47-28-40(50)37-23-24-41(55-29-34-17-9-4-10-18-34)42(27-37)56-30-35-19-11-5-12-20-35/h3-24,27,32,38-40,50H,25-26,28-31H2,1-2H3,(H,47,53)(H,48,52)(H,49,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.480	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
Calpain-2 (m-Calpain) (Homo sapiens (Human))	BDBM50053836 ((1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hyd...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C46H49N3O8/c1-32(2)25-39(49-46(54)57-31-36-21-13-6-14-22-36)44(52)48-38(26-33-15-7-3-8-16-33)43(51)45(53)47-28-40(50)37-23-24-41(55-29-34-17-9-4-10-18-34)42(27-37)56-30-35-19-11-5-12-20-35/h3-24,27,32,38-40,50H,25-26,28-31H2,1-2H3,(H,47,53)(H,48,52)(H,49,54)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.670	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
Cathepsin B (Bos taurus (bovine))	BDBM50053836 ((1-{1-Benzyl-2-[2-(3,4-bis-benzyloxy-phenyl)-2-hyd...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C46H49N3O8/c1-32(2)25-39(49-46(54)57-31-36-21-13-6-14-22-36)44(52)48-38(26-33-15-7-3-8-16-33)43(51)45(53)47-28-40(50)37-23-24-41(55-29-34-17-9-4-10-18-34)42(27-37)56-30-35-19-11-5-12-20-35/h3-24,27,32,38-40,50H,25-26,28-31H2,1-2H3,(H,47,53)(H,48,52)(H,49,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	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