BDBM50339148 CHEMBL1689258::beta-(3,4-dihydroxyphenyl)ethyl-6-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranoside
SMILES: OC[C@@]1(O)CO[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)\C=C\c3ccc(O)c(O)c3)O[C@H]2OCCc2ccc(O)c(O)c2)[C@@H]1O
InChI Key: InChIKey=NSDMGXRVIBQWAN-FQMHKDNFSA-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)) | BDBM50339148 (CHEMBL1689258 | beta-(3,4-dihydroxyphenyl)ethyl-6-...) | 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 | 3.23E+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 |