null
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N
InChI Key: InChIKey=OYGWLRRBJCSNDB-ZDUSSCGKSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Papain (Carica papaya) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 260 | -8.98 | n/a | n/a | n/a | n/a | n/a | 6.5 | 25 |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description Enzyme activities were calculated from kinetic measurements performed by spectrophotometric detection of the product p-nitroaniline (pNA) at waveleng... | J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Bos taurus (bovine)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ... | J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ... | J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cruzipain (Trypanosoma cruzi) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ... | J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | PubMed | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 6.0 | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis | ACS Med Chem Lett 7: 211-6 (2016) BindingDB Entry DOI: 10.7270/Q2TH8PMM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM20095 (dipeptide-derived nitrile, 16 | tert-butyl N-[(1S)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universitat Bonn | Assay Description Enzyme activities were calculated from kinetic measurements performed by fluorimetric detection of the product AMC at the wavelengths for excitation ... | J Med Chem 48: 7688-707 (2005) Article DOI: 10.1021/jm050686b BindingDB Entry DOI: 10.7270/Q2GB22BG | |||||||||||
More data for this Ligand-Target Pair |