BindingDB logo
myBDB logout

BDBM50130529 CHEMBL3634336

SMILES: COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1

InChI Key: InChIKey=BOXIFJWEKQNIOS-UHFFFAOYNA-N

Data: 4 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 4 hits for monomerid = 50130529   
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
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.1 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Mus musculus)
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

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


(Homo sapiens (Human))
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50130529
PNG
(CHEMBL3634336)
Show SMILES COc1ccc(OCC(O)CN2CCC(CC2)N2Cc3ccccc3C2=O)cc1
Show InChI InChI=1/C23H28N2O4/c1-28-20-6-8-21(9-7-20)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-4-2-3-5-22(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.5 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair