BDBM50335286 CHEMBL1651358::N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]phenylcarbamoyl}-leucyl-glycine-nitrile
SMILES: CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)NCC#N
InChI Key: InChIKey=BUKNXMUGAFKJMC-INIZCTEOSA-N
Data: 5 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 K (Homo sapiens (Human)) | BDBM50335286 (CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K after 30 mins by spectrophotometric assay | J Med Chem 54: 396-400 (2011) Article DOI: 10.1021/jm101272p BindingDB Entry DOI: 10.7270/Q2PV6MC3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM50335286 (CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human cathepsin S after 30 mins by spectrophotometric assay | J Med Chem 54: 396-400 (2011) Article DOI: 10.1021/jm101272p BindingDB Entry DOI: 10.7270/Q2PV6MC3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50335286 (CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >330 | 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)) | BDBM50335286 (CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin L after 30 mins by spectrophotometric assay | J Med Chem 54: 396-400 (2011) Article DOI: 10.1021/jm101272p BindingDB Entry DOI: 10.7270/Q2PV6MC3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50335286 (CHEMBL1651358 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin B after 30 mins by spectrophotometric assay | J Med Chem 54: 396-400 (2011) Article DOI: 10.1021/jm101272p BindingDB Entry DOI: 10.7270/Q2PV6MC3 | |||||||||||
More data for this Ligand-Target Pair |