BindingDB logo
myBDB logout

null

SMILES: Cn1c(ncc(O)c1=O)-c1ccc(Cl)c(c1)C(F)(F)F

InChI Key: InChIKey=BESHXQPCRPHKTJ-UHFFFAOYSA-N

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 = 206346   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Catechol O-methyltransferase


(Homo sapiens (Human))		BDBM206346
PNG
(US9260413, Example 1)
Show SMILES Cn1c(ncc(O)c1=O)-c1ccc(Cl)c(c1)C(F)(F)F
Show InChI InChI=1S/C12H8ClF3N2O2/c1-18-10(17-5-9(19)11(18)20)6-2-3-8(13)7(4-6)12(14,15)16/h2-5,19H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/an/a25



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