BDBM206347 US9260413, Example 5

SMILES: COc1ccc(Oc2cccc(c2)-c2ncc(O)c(=O)n2C)cc1

InChI Key: InChIKey=TVHMMAYJPULDQY-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 206347   

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
Catechol O-methyltransferase (MB-COMT) (Homo sapiens (Human))	BDBM206347 (US9260413, Example 5) Show SMILES COc1ccc(Oc2cccc(c2)-c2ncc(O)c(=O)n2C)cc1 Show InChI InChI=1S/C18H16N2O4/c1-20-17(19-11-16(21)18(20)22)12-4-3-5-15(10-12)24-14-8-6-13(23-2)7-9-14/h3-11,21H,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description To determine IC50 values in the fluorescence polarization assay, solutions of test compounds were prepared and preincubated with COMT enzyme as state...				US Patent US9260413 (2016) BindingDB Entry DOI: 10.7270/Q21835BC
					More data for this Ligand-Target Pair