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BDBM50130522 CHEMBL3634330

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1

InChI Key: InChIKey=LRUQDGQDQUKJEI-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 = 50130522   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50130522
PNG
(CHEMBL3634330)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 4.90E+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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130522
PNG
(CHEMBL3634330)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
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)
BDBM50130522
PNG
(CHEMBL3634330)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 920n/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
Voltage-gated sodium channel subunit alpha Nav1.1 (Nav1.1)


(Homo sapiens (Human))
BDBM50130522
PNG
(CHEMBL3634330)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.20E+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