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BDBM50130527 CHEMBL3634334

SMILES: COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O

InChI Key: InChIKey=WWJPTIQVZZTQLJ-UHFFFAOYNA-N

Data: 5 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 5 hits for monomerid = 50130527   
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))
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(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 1.90E+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 5 subunit alpha


(Homo sapiens (Human))
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(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 7.70E+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
Voltage-gated sodium channel alpha subunit Nav1.1


(Mus musculus)
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse 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)
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(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 4.80E+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))
BDBM50130527
PNG
(CHEMBL3634334)
Show SMILES COc1ccccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(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 5.30E+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