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BDBM176499 US9120752, 39::US9765029, 39

SMILES: NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O

InChI Key: InChIKey=ORQCDCJBNCWCHZ-IBGZPJMESA-N

Data: 2 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 = 176499   
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))
BDBM176499
PNG
(US9120752, 39 | US9765029, 39)
Show SMILES NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H19FN4O4/c23-14-6-10-16(11-7-14)31-15-8-4-13(5-9-15)17-2-1-3-18(26-17)22(30)27-19(21(25)29)12-20(24)28/h1-11,19H,12H2,(H2,24,28)(H2,25,29)(H,27,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 750n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
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 of 10×HBSS th...


US Patent US9765029 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CKS
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM176499
PNG
(US9120752, 39 | US9765029, 39)
Show SMILES NC(=O)C[C@H](NC(=O)c1cccc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(N)=O
Show InChI InChI=1S/C22H19FN4O4/c23-14-6-10-16(11-7-14)31-15-8-4-13(5-9-15)17-2-1-3-18(26-17)22(30)27-19(21(25)29)12-20(24)28/h1-11,19H,12H2,(H2,24,28)(H2,25,29)(H,27,30)/t19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 750n/an/an/an/an/a37



Purdue Pharma, L.P.

US Patent


Assay Description
Cells were prepared by plating the recombinant HEK293 cells or other host cells expressing either recombinant or non-recombinant, native, Nav1.7 alph...


US Patent US9120752 (2015)


BindingDB Entry DOI: 10.7270/Q2B56HHN
More data for this
Ligand-Target Pair