BDBM19716 (2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]-2-(morpholin-4-ylcarbonylamino)propanamide::arylaminoethyl amide deriv. 30
SMILES: CS(=O)(=O)CC[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1
InChI Key: InChIKey=LIZMSGSZTVNLRI-GMAHTHKFSA-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)) | BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 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: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 5 | -11.8 | 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: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19716 ((2S)-3-cyclohexyl-N-[(2S)-4-methanesulfonyl-1-{[4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 139 | 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: 5112-7 (2006) Article DOI: 10.1016/j.bmcl.2006.07.033 BindingDB Entry DOI: 10.7270/Q29P2ZXR | |||||||||||
More data for this Ligand-Target Pair |