BDBM19656 (2R)-2-(2-cyclopentylethyl)-4-(morpholin-4-yl)-4-oxo-N-[(2S)-4-phenyl-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]butanamide::succinamide peptidomimetic, 22
SMILES: FC(F)(F)Oc1ccc(NC[C@H](CCc2ccccc2)NC(=O)[C@H](CCC2CCCC2)CC(=O)N2CCOCC2)cc1
InChI Key: InChIKey=UDGAOZLPEBAUEM-IAPPQJPRSA-N
Data: 3 KI
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 S (Homo sapiens (Human)) | BDBM19656 ((2R)-2-(2-cyclopentylethyl)-4-(morpholin-4-yl)-4-o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 20 | -10.9 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
GNF | Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... | Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19656 ((2R)-2-(2-cyclopentylethyl)-4-(morpholin-4-yl)-4-o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 2.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF | Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... | Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19656 ((2R)-2-(2-cyclopentylethyl)-4-(morpholin-4-yl)-4-o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GNF | Assay Description The recombinant human cathepsin enzyme was preincubated with inhibitor for 20 minutes prior to addition of substrate. The substrate hydrolysis was mo... | Bioorg Med Chem Lett 17: 2899-903 (2007) Article DOI: 10.1016/j.bmcl.2007.02.049 BindingDB Entry DOI: 10.7270/Q2K64GBR | |||||||||||
More data for this Ligand-Target Pair |