BDBM50053806 CHEMBL129831::{1-[1-(2-Hydroxy-2-pentafluorophenyl-ethylaminooxalyl)-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

SMILES: CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F

InChI Key: InChIKey=WYYJIPJWAOEKRW-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 = 50053806   

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-1 catalytic subunit (Homo sapiens (Human))	BDBM50053806 (CHEMBL129831 | {1-[1-(2-Hydroxy-2-pentafluoropheny...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C27H30F5N3O6/c1-4-15(24(37)26(39)33-11-17(36)18-19(28)21(30)23(32)22(31)20(18)29)34-25(38)16(10-13(2)3)35-27(40)41-12-14-8-6-5-7-9-14/h5-9,13,15-17,36H,4,10-12H2,1-3H3,(H,33,39)(H,34,38)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	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))	BDBM50053806 (CHEMBL129831 | {1-[1-(2-Hydroxy-2-pentafluoropheny...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C27H30F5N3O6/c1-4-15(24(37)26(39)33-11-17(36)18-19(28)21(30)23(32)22(31)20(18)29)34-25(38)16(10-13(2)3)35-27(40)41-12-14-8-6-5-7-9-14/h5-9,13,15-17,36H,4,10-12H2,1-3H3,(H,33,39)(H,34,38)(H,35,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	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))	BDBM50053806 (CHEMBL129831 | {1-[1-(2-Hydroxy-2-pentafluoropheny...) Show SMILES CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F Show InChI InChI=1S/C27H30F5N3O6/c1-4-15(24(37)26(39)33-11-17(36)18-19(28)21(30)23(32)22(31)20(18)29)34-25(38)16(10-13(2)3)35-27(40)41-12-14-8-6-5-7-9-14/h5-9,13,15-17,36H,4,10-12H2,1-3H3,(H,33,39)(H,34,38)(H,35,40)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	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