BDBM19712 (2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1-{[4-(trifluoromethoxy)phenyl]amino}propan-2-yl]propanamide::arylaminoethyl amide deriv. 26
SMILES: C[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)C1CCOCC1
InChI Key: InChIKey=JBUDNBVFEGSCNW-JTSKRJEESA-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)) | BDBM19712 ((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 12 | -11.2 | 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 | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19712 ((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 232 | 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 K (Homo sapiens (Human)) | BDBM19712 ((2S)-3-cyclohexyl-2-(oxan-4-ylformamido)-N-[(2S)-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.43E+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 |