BDBM50053826 (1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phenyl)-ethylcarbamoyl]-2-oxo-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester::CHEMBL435203

SMILES: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=VQYAUQQZKIBVFS-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 = 50053826   

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))	BDBM50053826 ((1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phe...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	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 (m-Calpain) (Homo sapiens (Human))	BDBM50053826 ((1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phe...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	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
Calpain1 (Homo sapiens (Human))	BDBM50053826 ((1-{1-Benzyl-2-[2-hydroxy-2-(3-trifluoromethyl-phe...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C33H36F3N3O6/c1-21(2)16-27(39-32(44)45-20-23-12-7-4-8-13-23)30(42)38-26(17-22-10-5-3-6-11-22)29(41)31(43)37-19-28(40)24-14-9-15-25(18-24)33(34,35)36/h3-15,18,21,26-28,40H,16-17,19-20H2,1-2H3,(H,37,43)(H,38,42)(H,39,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	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