BDBM50055427 (S)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydroxy-3,6-dimethylphenyl]carbonyl]oxy]-2-methoxy-3,5,6-trimethylphenyl]carbonyl]-2-methoxy-3,5,6-trimethylphenyl]carbonyl]oxy]-2-methoxy-3,5,6-trimethylbenzoic acid::CHEMBL346413
SMILES: C[C@H](NCc1c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)OC3C(C)C(=O)C(C(O)=O)C(C)=C3C)c(O)c2C)c(O)c(C)c1O)c1ccccc1
InChI Key: InChIKey=POIKEMMKDLPDBZ-HPPNUCPUSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Phospholipase A2 (Homo sapiens (Human)) | BDBM50055427 ((S)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...) | 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 | 6.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of human recombinant secretory Phospholipase A2 (group I). | J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase A2, membrane associated (Homo sapiens (Human)) | BDBM50055427 ((S)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of human recombinant secretory Phospholipase A2 (group II). | J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phospholipase A2 group IIA (Rattus norvegicus) | BDBM50055427 ((S)-4-[[[4-[[[5[(sec-phenylamino)methyl]2,4-dihydr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi& Co., Ltd. Curated by ChEMBL | Assay Description In vitro inhibition of rat secretory Phospholipase A2 (group II). | J Med Chem 39: 5183-91 (1997) Article DOI: 10.1021/jm960437a BindingDB Entry DOI: 10.7270/Q2K64JQH | |||||||||||
More data for this Ligand-Target Pair |