BDBM19682 (2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2-yl N-[(2S)-3-methyl-1-{[4-(trifluoromethoxy)phenyl]amino}butan-2-yl]carbamate::Arylaminoethyl carbamate, 13
SMILES: CC(C)[C@@H](CNc1ccc(OC(F)(F)F)cc1)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1
InChI Key: InChIKey=PJMGUOBHINXUAY-PKTZIBPZSA-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)) | BDBM19682 ((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 8 | -11.5 | 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: 5107-11 (2006) Article DOI: 10.1016/j.bmcl.2006.07.032 BindingDB Entry DOI: 10.7270/Q2FF3QM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19682 ((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 1.18E+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 16: 5107-11 (2006) Article DOI: 10.1016/j.bmcl.2006.07.032 BindingDB Entry DOI: 10.7270/Q2FF3QM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19682 ((2S)-3-cyclohexyl-1-(morpholin-4-yl)-1-oxopropan-2...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 6.03E+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 16: 5107-11 (2006) Article DOI: 10.1016/j.bmcl.2006.07.032 BindingDB Entry DOI: 10.7270/Q2FF3QM1 | |||||||||||
More data for this Ligand-Target Pair |