BDBM19605 (2S)-N-[(2S)-5-amino-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)pentan-2-yl]-4-cyclohexyl-2-[(3-methoxyphenyl)formamido]butanamide::arylaminoethyl amide, 8m
SMILES: COc1cccc(c1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N[C@@H](CCCN)CN1CCc2cc(F)ccc12
InChI Key: InChIKey=RRABPPFYUOEJGV-XCZPVHLTSA-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)) | BDBM19605 ((2S)-N-[(2S)-5-amino-1-(5-fluoro-2,3-dihydro-1H-in...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 42 | 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)) | BDBM19605 ((2S)-N-[(2S)-5-amino-1-(5-fluoro-2,3-dihydro-1H-in...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 76 | -10.1 | 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)) | BDBM19605 ((2S)-N-[(2S)-5-amino-1-(5-fluoro-2,3-dihydro-1H-in...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.08E+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 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 |