BDBM50269236 3 beta-O-acetyloleanolic acid::CHEMBL503071
SMILES: COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
InChI Key: InChIKey=HDWYAPCZHCDUNP-JVZQWSIASA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cyclooxygenase (Homo sapiens (Human)) | BDBM50269236 (3 beta-O-acetyloleanolic acid | CHEMBL503071) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of human recombinant COX2 | J Nat Prod 69: 887-90 (2006) Article DOI: 10.1021/np0504311 BindingDB Entry DOI: 10.7270/Q2DJ5FDH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep)) | BDBM50269236 (3 beta-O-acetyloleanolic acid | CHEMBL503071) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos Curated by ChEMBL | Assay Description Inhibition of ovine COX1 | J Nat Prod 69: 887-90 (2006) Article DOI: 10.1021/np0504311 BindingDB Entry DOI: 10.7270/Q2DJ5FDH | |||||||||||
More data for this Ligand-Target Pair |