BDBM50107646 3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-propionylamino)-but-1-ynyl]-benzoic acid::CHEMBL344035
SMILES: Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CC#Cc2cccc(c2)C(O)=O)C#N)c1
InChI Key: InChIKey=PQALQVYGBABOEY-ACHIHNKUSA-N
Data: 1 IC50
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)) | BDBM50107646 (3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 5.60 | 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 |