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BDBM50130532 CHEMBL3632692

SMILES: OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O

InChI Key: InChIKey=IBIBCFGIOQIBHV-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 = 50130532   
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))
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
PDB

UniProtKB/SwissProt

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 NaV1.1 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)
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 100n/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))
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/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))
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+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