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SMILES: NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(Cl)nc2)cc1

InChI Key: InChIKey=XAJNPHSIMCBHKT-MSOLQXFVSA-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 = 190551   
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))
BDBM190551
PNG
(US9181185, 30f | US9624194, Compound 30f)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(Cl)nc2)cc1 |r|
Show InChI InChI=1S/C19H16ClN3O4/c20-16-9-8-13(10-22-16)27-12-6-4-11(5-7-12)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 376n/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...


US Patent US9624194 (2017)


BindingDB Entry DOI: 10.7270/Q2BP04VG
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM190551
PNG
(US9181185, 30f | US9624194, Compound 30f)
Show SMILES NC(=O)[C@@H](O)[C@H](O)c1cccc(n1)-c1ccc(Oc2ccc(Cl)nc2)cc1 |r|
Show InChI InChI=1S/C19H16ClN3O4/c20-16-9-8-13(10-22-16)27-12-6-4-11(5-7-12)14-2-1-3-15(23-14)17(24)18(25)19(21)26/h1-10,17-18,24-25H,(H2,21,26)/t17-,18+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

US Patent
n/an/a 376n/an/an/an/an/a37



Purdue Pharma L.P.

US Patent


Assay Description
FLIPRŽ or FLIPRTETRAŽ Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other...


US Patent US9181185 (2015)


BindingDB Entry DOI: 10.7270/Q2PC315D
More data for this
Ligand-Target Pair