BDBM106780 7‐hydroxy‐8‐methyl‐3‐[4‐(trifluoromethyl)phenyl]‐ 4H‐chromen‐4‐one::7-Hydroxy-8-methyl-3′-trifluoromethyl-isoflavone (2d)

SMILES: Cc1c(O)ccc2c1occ(-c1ccc(cc1)C(F)(F)F)c2=O

InChI Key: InChIKey=MIWUKCMMYSNBPW-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 106780   

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
Arachidonate 15-lipoxygenase (Homo sapiens (Human))	BDBM106780 (7‐hydroxy‐8‐methyl‐3‐...) Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(cc1)C(F)(F)F)c2=O Show InChI InChI=1S/C17H11F3O3/c1-9-14(21)7-6-12-15(22)13(8-23-16(9)12)10-2-4-11(5-3-10)17(18,19)20/h2-8,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair
12-Lipoxygenase (12-LOX) (Homo sapiens (Human))	BDBM106780 (7‐hydroxy‐8‐methyl‐3‐...) Show SMILES Cc1c(O)ccc2c1occ(-c1ccc(cc1)C(F)(F)F)c2=O Show InChI InChI=1S/C17H11F3O3/c1-9-14(21)7-6-12-15(22)13(8-23-16(9)12)10-2-4-11(5-3-10)17(18,19)20/h2-8,21H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
					More data for this Ligand-Target Pair