BDBM50080264 1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydroxy-35-isopropyl-19,32-dimethyl-3,9,20,28,31,34,37,38-octaoxo-33-oxa-2,8,10,19,22,27,30,36-octaazatetracyclo[16.13.6.122,26.011,16]octatriaconta-11(16),12,14-trien-4-yl]-2-methylpropanamide::CHEMBL437538::FR-901277
SMILES: C\C=C1/NC(=O)[C@H]2NC(=O)[C@H](CCCNC(=O)Nc3cc(O)c(O)cc3C[C@H](N(C)C(=O)[C@H](Cc3ccccc3)N3[C@H](O)CC[C@H](NC1=O)C3=O)C(=O)N[C@@H](C(C)C)C(=O)O[C@H]2C)NC(=O)C(C)C
InChI Key: InChIKey=MHMMGTGXNPFNAJ-MVPXUFHVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Leukocyte elastase (Homo sapiens (Human)) | BDBM50080264 (1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Imperial College London Curated by ChEMBL | Assay Description Inhibition of human leukocyte elastase | Bioorg Med Chem 15: 4618-28 (2007) Article DOI: 10.1016/j.bmc.2007.03.082 BindingDB Entry DOI: 10.7270/Q2D21ZFT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Leukocyte elastase (Homo sapiens (Human)) | BDBM50080264 (1N-[21-benzyl-29-[(Z)-ethylidene]-13,14,23-trihydr...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Fujisawa Pharmaceutical Co., Ltd. Curated by ChEMBL | Assay Description Evaluated for the inhibition of Human Leukocyte Elastase (HLE) enzyme | Bioorg Med Chem Lett 9: 2397-402 (1999) BindingDB Entry DOI: 10.7270/Q2319V2J | |||||||||||
More data for this Ligand-Target Pair |