BDBM19768 Cbz-Leu-NH-CH2-CN::JMC487688 Compound 8::benzyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-3-methylbutyl]carbamate::dipeptidyl nitrile, 1
SMILES: CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#N
InChI Key: InChIKey=UFXQLUZNMRVTPU-AWEZNQCLSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin K (Oryctolagus cuniculus (rabbit)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 34.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Celera Genomics, Inc. Curated by ChEMBL | Assay Description Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate | J Med Chem 48: 7520-34 (2005) Article DOI: 10.1021/jm058198r BindingDB Entry DOI: 10.7270/Q23T9GSB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 35 | 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 S (Homo sapiens (Human)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 130 | 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 L (Bos taurus (bovine)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 750 | 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 | |||||||||||||
Papain (Carica papaya) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 3.10E+3 | -7.51 | 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 | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | PubMed | 3.20E+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 | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19768 (Cbz-Leu-NH-CH2-CN | JMC487688 Compound 8 | benzyl ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | Bioorg Med Chem Lett 16: 2549-54 (2006) Article DOI: 10.1016/j.bmcl.2006.01.104 BindingDB Entry DOI: 10.7270/Q2XG9PFB | |||||||||||
More data for this Ligand-Target Pair |