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BDBM336807 (S)-6-(((1-amino-3-methyl-1- oxobutan-2-yl)amino)methyl)-2- (4-(4-(trifluoromethyl)- phenoxy)phenyl)pyrimidine- 4-carboxamide::US9745287, Compound 22

SMILES: CC(C)[C@H](NCc1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O)C(N)=O

InChI Key: InChIKey=VLZFUWOTBLISGS-FQEVSTJZSA-N

Data: 1 KI  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 2 hits for monomerid = 336807   
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))
BDBM336807
PNG
((S)-6-(((1-amino-3-methyl-1- oxobutan-2-yl)amino)m...)
Show SMILES CC(C)[C@H](NCc1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C24H24F3N5O3/c1-13(2)20(22(29)34)30-12-16-11-19(21(28)33)32-23(31-16)14-3-7-17(8-4-14)35-18-9-5-15(6-10-18)24(25,26)27/h3-11,13,20,30H,12H2,1-2H3,(H2,28,33)(H2,29,34)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
220n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Cells Manual Electrophysiology: The hNav1.7 expressing HEK-293 cells are plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DME...


US Patent US9745287 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM336807
PNG
((S)-6-(((1-amino-3-methyl-1- oxobutan-2-yl)amino)m...)
Show SMILES CC(C)[C@H](NCc1cc(nc(n1)-c1ccc(Oc2ccc(cc2)C(F)(F)F)cc1)C(N)=O)C(N)=O
Show InChI InChI=1S/C24H24F3N5O3/c1-13(2)20(22(29)34)30-12-16-11-19(21(28)33)32-23(31-16)14-3-7-17(8-4-14)35-18-9-5-15(6-10-18)24(25,26)27/h3-11,13,20,30H,12H2,1-2H3,(H2,28,33)(H2,29,34)/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/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