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SMILES: C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=LZHDSWPVMITKJX-NSHDSACASA-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 2 hits for monomerid = 185951   
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))
BDBM185951
PNG
(US9163008, 40)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H16FN3O5/c1-11(19(25)26)22-17-10-16(20(27)28)23-18(24-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H,25,26)(H,27,28)(H,22,23,24)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
4.11E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma, L.P.

US Patent


Assay Description
For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM185951
PNG
(US9163008, 40)
Show SMILES C[C@H](Nc1cc(nc(n1)-c1ccc(Oc2ccc(F)cc2)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C20H16FN3O5/c1-11(19(25)26)22-17-10-16(20(27)28)23-18(24-17)12-2-6-14(7-3-12)29-15-8-4-13(21)5-9-15/h2-11H,1H3,(H,25,26)(H,27,28)(H,22,23,24)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>2.00E+4n/an/an/an/an/an/a



Purdue Pharma, L.P.

US Patent


Assay Description
In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN1, NE) of human Nav1.7 (Access...


US Patent US9163008 (2015)


BindingDB Entry DOI: 10.7270/Q2G44P21
More data for this
Ligand-Target Pair