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BDBM50130517 CHEMBL3634325

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12

InChI Key: InChIKey=VMATVFNOMSFWNE-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 = 50130517   
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))
BDBM50130517
PNG
(CHEMBL3634325)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>3.30E+4n/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))
BDBM50130517
PNG
(CHEMBL3634325)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+4n/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)
BDBM50130517
PNG
(CHEMBL3634325)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.10E+4n/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))
BDBM50130517
PNG
(CHEMBL3634325)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1/C27H27N3O5/c31-20(18-34-24-12-5-4-9-21(24)25(32)19-7-2-1-3-8-19)17-29-13-15-30(16-14-29)23-11-6-10-22-26(23)35-27(33)28-22/h1-12,20,31H,13-18H2,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a>3.30E+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