new BindingDB logo
myBDB logout

BDBM50169435 CHEMBL3805138::US9481677, 86

SMILES: Nc1noc2ccc(cc12)-c1cccnc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1

InChI Key: InChIKey=RFAPBCNGVGHECI-UHFFFAOYSA-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 = 50169435   
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))
BDBM50169435
PNG
(CHEMBL3805138 | US9481677, 86)
Show SMILES Nc1noc2ccc(cc12)-c1cccnc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H12F2N6O4S2/c21-13-8-17(34(29,30)28-20-25-9-26-33-20)14(22)7-16(13)31-19-11(2-1-5-24-19)10-3-4-15-12(6-10)18(23)27-32-15/h1-9H,(H2,23,27)(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 51n/an/an/an/an/an/a



Xenon Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human Nav1.7 channel expressed in HEK cells co-expressing human sodium channel subunit beta1 at holding potential -60 mV by...


ACS Med Chem Lett 7: 277-82 (2016)


BindingDB Entry DOI: 10.7270/Q2J1052W
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50169435
PNG
(CHEMBL3805138 | US9481677, 86)
Show SMILES Nc1noc2ccc(cc12)-c1cccnc1Oc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
Show InChI InChI=1S/C20H12F2N6O4S2/c21-13-8-17(34(29,30)28-20-25-9-26-33-20)14(22)7-16(13)31-19-11(2-1-5-24-19)10-3-4-15-12(6-10)18(23)27-32-15/h1-9H,(H2,23,27)(H,25,26,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



XENON PHARMACEUTICALS INC.

US Patent


Assay Description
Patch voltage clamp electrophysiology allows for the direct measurement and quantification of block of voltage-gated sodium channels (Nav's), and...


US Patent US9481677 (2016)


BindingDB Entry DOI: 10.7270/Q20V8BQT
More data for this
Ligand-Target Pair