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BDBM50130518 CHEMBL3634326

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12

InChI Key: InChIKey=NNRBEHWLAFGHPH-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 = 50130518   
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))
BDBM50130518
PNG
(CHEMBL3634326)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
Show InChI InChI=1/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.80E+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


(Homo sapiens (Human))
BDBM50130518
PNG
(CHEMBL3634326)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
Show InChI InChI=1/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+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 9 subunit alpha


(Mus musculus)
BDBM50130518
PNG
(CHEMBL3634326)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
Show InChI InChI=1/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50130518
PNG
(CHEMBL3634326)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1C(=O)COc2ccccc12
Show InChI InChI=1/C29H30N2O5/c32-23(19-35-26-12-6-4-10-24(26)29(34)21-8-2-1-3-9-21)18-30-16-14-22(15-17-30)31-25-11-5-7-13-27(25)36-20-28(31)33/h1-13,22-23,32H,14-20H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 5.20E+3n/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