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BDBM336818 6-((3-oxopiperazin-1-yl)- methyl)-2-(4-((5-(trifluoro- methyl)pyridin-2-yl)oxy)- phenyl)pyrimidine- 4-carboxamide::US9745287, Compound 28

SMILES: NC(=O)c1cc(CN2CCNC(=O)C2)nc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1

InChI Key: InChIKey=LMHFURXZNFCYGR-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 = 336818   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM336818
PNG
(6-((3-oxopiperazin-1-yl)- methyl)-2-(4-((5-(triflu...)
Show SMILES NC(=O)c1cc(CN2CCNC(=O)C2)nc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
Show InChI InChI=1S/C22H19F3N6O3/c23-22(24,25)14-3-6-19(28-10-14)34-16-4-1-13(2-5-16)21-29-15(9-17(30-21)20(26)33)11-31-8-7-27-18(32)12-31/h1-6,9-10H,7-8,11-12H2,(H2,26,33)(H,27,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.45E+3n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...


US Patent US9745287 (2017)

More data for this
Ligand-Target Pair