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BDBM50130512 CHEMBL3634322

SMILES: OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12

InChI Key: InChIKey=QVTFMRCALHRROQ-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 = 50130512   
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))
BDBM50130512
PNG
(CHEMBL3634322)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C29H30N2O5/c32-22(18-35-26-12-5-4-9-24(26)28(34)21-7-2-1-3-8-21)17-31-15-13-20(14-16-31)23-10-6-11-25-29(23)36-19-27(33)30-25/h1-12,20,22,32H,13-19H2,(H,30,33)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.40E+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


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50130512
PNG
(CHEMBL3634322)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C29H30N2O5/c32-22(18-35-26-12-5-4-9-24(26)28(34)21-7-2-1-3-8-21)17-31-15-13-20(14-16-31)23-10-6-11-25-29(23)36-19-27(33)30-25/h1-12,20,22,32H,13-19H2,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 780n/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


Citation and Details
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130512
PNG
(CHEMBL3634322)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C29H30N2O5/c32-22(18-35-26-12-5-4-9-24(26)28(34)21-7-2-1-3-8-21)17-31-15-13-20(14-16-31)23-10-6-11-25-29(23)36-19-27(33)30-25/h1-12,20,22,32H,13-19H2,(H,30,33)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+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


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50130512
PNG
(CHEMBL3634322)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)c1cccc2NC(=O)COc12
Show InChI InChI=1/C29H30N2O5/c32-22(18-35-26-12-5-4-9-24(26)28(34)21-7-2-1-3-8-21)17-31-15-13-20(14-16-31)23-10-6-11-25-29(23)36-19-27(33)30-25/h1-12,20,22,32H,13-19H2,(H,30,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+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


Citation and Details
More data for this
Ligand-Target Pair