BDBM92556 Neoflavonoid, 8
SMILES: COc1cc(cc(OC)c1O)C1CC(=O)Oc2cc3OCOc3cc12
InChI Key: InChIKey=VNKHCWQSLKFNQA-UHFFFAOYSA-N
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 |
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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM92556 (Neoflavonoid, 8) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 0.00182 | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Institute of Medicinal and Aromatic Plants | Assay Description Inhibition assay using aromatase enzyme. | Chem Biol Drug Des 80: 616-624 (2012) Article DOI: 10.1111/j.1747-0285.2012.01439.x BindingDB Entry DOI: 10.7270/Q24X56CG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM92556 (Neoflavonoid, 8) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central University of Punjab Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) preincubated for 10 mins in presence of NADPH generating system followed by addition of dibenzylfluorescein ... | Eur J Med Chem 119: 141-68 (2016) BindingDB Entry DOI: 10.7270/Q29Z96V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM92556 (Neoflavonoid, 8) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
American University of Ras Al Khaimah Curated by ChEMBL | Assay Description Inhibition of aromatase (unknown origin) after 30 mins by fluorescence assay | Eur J Med Chem 102: 375-86 (2015) BindingDB Entry DOI: 10.7270/Q2ZC84Q6 | |||||||||||
More data for this Ligand-Target Pair |