BDBM19585 (2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide::arylaminoethyl amide, 3a
SMILES: COc1c(C)cc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2cccc(C)c2)cc1C
InChI Key: InChIKey=YHDGNBGQARWTQO-QFIPXVFZSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Procathepsin L (Homo sapiens (Human)) | BDBM19585 ((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | 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 |
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 16: 1486-90 (2006) Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19585 ((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 107 | -9.89 | 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 16: 1486-90 (2006) Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19585 ((2S)-N-{2-[(4-methoxy-3,5-dimethylphenyl)amino]eth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 125 | 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 16: 1486-90 (2006) Article DOI: 10.1016/j.bmcl.2005.12.056 BindingDB Entry DOI: 10.7270/Q2TQ5ZTJ | |||||||||||
More data for this Ligand-Target Pair |