null
SMILES: Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1
InChI Key: InChIKey=LBPPQMINXRJBEJ-RDGATRHJSA-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 B (Homo sapiens (Human)) | BDBM50107639 (3-{2-[2-(4-Chloro-2-fluoro-benzoylamino)-3-m-tolyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Inhibition of recombinant human cathepsin B expressed in baculovirus expression system using Z-Arg-Arg-AMC as substrate incubated for 20 mins by fluo... | Bioorg Med Chem 27: 1-15 (2019) Article DOI: 10.1016/j.bmc.2018.10.017 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50107639 (3-{2-[2-(4-Chloro-2-fluoro-benzoylamino)-3-m-tolyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Pharmaceuticals Corporation Curated by ChEMBL | Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus. | J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J | |||||||||||
More data for this Ligand-Target Pair |