Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 304.3 BDBM19488

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin S (Homo sapiens (Human))	BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) Show SMILES CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O Show InChI InChI=1S/C18H18F2O2/c1-12(2)11-13-7-8-15(18(20)17(13)19)14-5-3-4-6-16(14)22-10-9-21/h3-9,12H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.60	-47.6	n/a	n/a	n/a	n/a	n/a	6.1	37
University of California at Berkeley					Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...				J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) Show SMILES CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O Show InChI InChI=1S/C18H18F2O2/c1-12(2)11-13-7-8-15(18(20)17(13)19)14-5-3-4-6-16(14)22-10-9-21/h3-9,12H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.24E+3	-35.1	n/a	n/a	n/a	n/a	n/a	6.1	37
University of California at Berkeley					Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...				J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) Show SMILES CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O Show InChI InChI=1S/C18H18F2O2/c1-12(2)11-13-7-8-15(18(20)17(13)19)14-5-3-4-6-16(14)22-10-9-21/h3-9,12H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	>-28.6	n/a	n/a	n/a	n/a	n/a	6.1	37
University of California at Berkeley					Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...				J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM19488 (2-{2-[2,3-difluoro-4-(2-methylpropyl)phenyl]phenox...) Show SMILES CC(C)Cc1ccc(c(F)c1F)-c1ccccc1OCC=O Show InChI InChI=1S/C18H18F2O2/c1-12(2)11-13-7-8-15(18(20)17(13)19)14-5-3-4-6-16(14)22-10-9-21/h3-9,12H,10-11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.50E+4	>-28.6	n/a	n/a	n/a	n/a	n/a	6.1	37
University of California at Berkeley					Assay Description The proteolytic cleavage of N-acyl aminocoumarins by cathepsins was conducted in Dynatech Microfluor fluorescence 96-well microtiter plates, and read...				J Med Chem 50: 2693-9 (2007) Article DOI: 10.1021/jm070111+ BindingDB Entry DOI: 10.7270/Q2BP012X
					More data for this Ligand-Target Pair