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BDBM336815 6-((((R)-2-oxopyrrolidin-3- yl)amino)methyl)-2-(4-(4- (trifluoromethyl)phenoxy)cyclohex- 1-en-1-yl)pyrimidine-4-carboxamide::US9745287, Compound 56

SMILES: NC(=O)c1cc(CN[C@@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=MJVPYKXLSAXOSB-UHUGOGIASA-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 = 336815   
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))
BDBM336815
PNG
(6-((((R)-2-oxopyrrolidin-3- yl)amino)methyl)-2-(4-...)
Show SMILES NC(=O)c1cc(CN[C@@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)14-3-7-17(8-4-14)34-16-5-1-13(2-6-16)21-30-15(11-19(31-21)20(27)32)12-29-18-9-10-28-22(18)33/h1,3-4,7-8,11,16,18,29H,2,5-6,9-10,12H2,(H2,27,32)(H,28,33)/t16?,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
117n/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))
BDBM336815
PNG
(6-((((R)-2-oxopyrrolidin-3- yl)amino)methyl)-2-(4-...)
Show SMILES NC(=O)c1cc(CN[C@@H]2CCNC2=O)nc(n1)C1=CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N5O3/c24-23(25,26)14-3-7-17(8-4-14)34-16-5-1-13(2-6-16)21-30-15(11-19(31-21)20(27)32)12-29-18-9-10-28-22(18)33/h1,3-4,7-8,11,16,18,29H,2,5-6,9-10,12H2,(H2,27,32)(H,28,33)/t16?,18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 544n/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