BDBM50339147 CHEMBL1689257::beta-(4-hydroxyphenyl)ethyl-4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1
InChI Key: InChIKey=TXTPNFUSMTWSFE-JCJVHILYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM50339147 (CHEMBL1689257 | beta-(4-hydroxyphenyl)ethyl-4-O-E-...) | PDB MMDB 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 | 3.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yunnan Normal University Curated by ChEMBL | Assay Description Inhibition of aromatase preincubated with 2.6 mM NADP+ for 10 mins before substrate addition measured after 30 mins by fluorescence assay | J Nat Prod 74: 129-36 (2011) Article DOI: 10.1021/np100373f BindingDB Entry DOI: 10.7270/Q20865MS | |||||||||||
More data for this Ligand-Target Pair |