BDBM92561 Neoflavonoid, 20

SMILES: COc1cc(cc(OC)c1O)C1CC(=O)Nc2cc3OCOc3cc12

InChI Key: InChIKey=IGGMDEZUFZEIDP-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92561   

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))	BDBM92561 (Neoflavonoid, 20) Show SMILES COc1cc(cc(OC)c1O)C1CC(=O)Nc2cc3OCOc3cc12 Show InChI InChI=1S/C18H17NO6/c1-22-15-3-9(4-16(23-2)18(15)21)10-6-17(20)19-12-7-14-13(5-11(10)12)24-8-25-14/h3-5,7,10,21H,6,8H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0118	n/a	n/a	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