BDBM50335285 CHEMBL1651350::N-{4-[5-(2-Thienyl)-1,2,4-oxadiazol-3-yl]phenylcarbamoyl}-leucyl-methylazalanine-nitrile
SMILES: CC(C)C[C@H](NC(=O)Nc1ccc(cc1)-c1noc(n1)-c1cccs1)C(=O)N(C)N(C)C#N
InChI Key: InChIKey=KFTMZNIURYIOKI-KRWDZBQOSA-N
Data: 4 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)) | BDBM50335285 (CHEMBL1651350 | 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 | 0.0220 | 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)) | BDBM50335285 (CHEMBL1651350 | 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 | 0.320 | 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)) | BDBM50335285 (CHEMBL1651350 | 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 | 2.40 | 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 | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50335285 (CHEMBL1651350 | 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 | 4.40 | 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 | |||||||||||||
Replicase polyprotein 1ab (2019-nCoV) | BDBM50335285 (CHEMBL1651350 | N-{4-[5-(2-Thienyl)-1,2,4-oxadiazo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 3.99E+4 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair |