BDBM50214357 CHEMBL319102
SMILES: [H][C@@]12CSC(CCCCC(=O)NCCCCCC(=O)N\N=C\C(NC(C)=O)C(OC(CO)CO)OC3C(CO)OC(OC4C(O)C5N=C(OC5C4CO)N(C)C)C(NC(C)=O)C3O)[C@]1([H])NC(=O)N2
InChI Key: InChIKey=ZOSGMUWRSIYVAF-AJGTULNNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chitotriosidase-1 (Homo sapiens (Human)) | BDBM50214357 (CHEMBL319102) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo Curated by ChEMBL | Assay Description Compound was evaluated for inhibitory activity against Trichoderma Chitinase | Bioorg Med Chem Lett 8: 2987-90 (1998) BindingDB Entry DOI: 10.7270/Q2TM7D9X | |||||||||||
More data for this Ligand-Target Pair |