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BDBM50393029 CHEMBL2152694

SMILES: CN(C)c1ccc(C(=O)NC2CC22CCN(CC2)c2ccccc2)c2ccccc12

InChI Key: InChIKey=YRSKXNMLVOESOK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50393029   
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 9 subunit alpha


(Homo sapiens (Human))
BDBM50393029
PNG
(CHEMBL2152694)
Show SMILES CN(C)c1ccc(C(=O)NC2CC22CCN(CC2)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-28(2)23-13-12-22(20-10-6-7-11-21(20)23)25(30)27-24-18-26(24)14-16-29(17-15-26)19-8-4-3-5-9-19/h3-13,24H,14-18H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 237n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by FLIPR method


Bioorg Med Chem Lett 24: 3690-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.038
BindingDB Entry DOI: 10.7270/Q2KS6VJM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50393029
PNG
(CHEMBL2152694)
Show SMILES CN(C)c1ccc(C(=O)NC2CC22CCN(CC2)c2ccccc2)c2ccccc12
Show InChI InChI=1S/C26H29N3O/c1-28(2)23-13-12-22(20-10-6-7-11-21(20)23)25(30)27-24-18-26(24)14-16-29(17-15-26)19-8-4-3-5-9-19/h3-13,24H,14-18H2,1-2H3,(H,27,30)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 98.3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell-based FLIPR assay


ACS Med Chem Lett 3: 697-698 (2012)


Article DOI: 10.1021/ml300195b
BindingDB Entry DOI: 10.7270/Q2DJ5GQZ
More data for this
Ligand-Target Pair