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BDBM258124 US9493448, 26::US9845313, Example 26

SMILES: Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccncn1

InChI Key: InChIKey=AXYULVLJNGYTDT-FFXKXJTCNA-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 = 258124   
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 alpha subunit


(Homo sapiens (Human))
BDBM258124
PNG
(US9493448, 26 | US9845313, Example 26)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1/C20H20N6O3S/c1-26-17(7-10-24-26)16-3-2-4-19(16)29-18-6-5-15(11-14(18)12-21)30(27,28)25-20-8-9-22-13-23-20/h5-11,13,16,19H,2-4H2,1H3,(H,22,23,25)/t16-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/a



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current record was obtained by an automated patch clamp system “IonWorks Quattro (Molecular Devices Corporation)” in Population Patch Clamp mode. The...


US Patent US9845313 (2017)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM258124
PNG
(US9493448, 26 | US9845313, Example 26)
Show SMILES Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(cc1C#N)S(=O)(=O)Nc1ccncn1
Show InChI InChI=1/C20H20N6O3S/c1-26-17(7-10-24-26)16-3-2-4-19(16)29-18-6-5-15(11-14(18)12-21)30(27,28)25-20-8-9-22-13-23-20/h5-11,13,16,19H,2-4H2,1H3,(H,22,23,25)/t16-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/a7.337



Daiichi Sankyo Company, Limited

US Patent


Assay Description
Current record was obtained by an automated patch clamp system IonWorks Quattro (Molecular Devices Corporation) in Population Patch Clamp mode. The o...


US Patent US9493448 (2016)


BindingDB Entry DOI: 10.7270/Q29022QD
More data for this
Ligand-Target Pair