BDBM50102741 3-O-Acetyloleanolic Acid::ACETYL OLEANOLIC ACID::Acetyl Oleanolic Acid
SMILES: [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
InChI Key: InChIKey=RIXNFYQZWDGQAE-DFHVBEEKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50102741![]() (3-O-Acetyloleanolic Acid | ACETYL OLEANOLIC ACID |...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada Curated by ChEMBL | Assay Description Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay | Eur J Med Chem 74: 278-301 (2014) Article DOI: 10.1016/j.ejmech.2013.12.049 BindingDB Entry DOI: 10.7270/Q2T43X2N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-tyrosine phosphatase 1B (Homo sapiens (Human)) | BDBM50102741![]() (3-O-Acetyloleanolic Acid | ACETYL OLEANOLIC ACID |...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase MCE PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Aut£noma del estado de Morelos Curated by ChEMBL | Assay Description Inhibition of purified human GST-tagged PTP-1B using p-nitrophenylphosphate as substrate by spectrophotometry | Eur J Med Chem 87: 316-27 (2014) Article DOI: 10.1016/j.ejmech.2014.09.036 BindingDB Entry DOI: 10.7270/Q2DB83NK | |||||||||||
More data for this Ligand-Target Pair |