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SMILES: COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1

InChI Key: InChIKey=CSGMIVCOTWOCPC-UHFFFAOYSA-N

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 8 hits for monomerid = 50057402   
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))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 351n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 channel expressed in HEK293 cells assessed as membrane potential after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 331n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
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n/an/a 1.05E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by voltage clamp assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 572n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells after 60 mins by FLIPR assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 331n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by voltage clamp assay


Bioorg Med Chem Lett 24: 4958-62 (2014)


BindingDB Entry DOI: 10.7270/Q21Z465T
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50057402
PNG
(CHEMBL3322777)
Show SMILES COc1ccc-2c(NC3(CCN(CC3)C(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1
Show InChI InChI=1S/C26H30N4O3/c1-28(2)22-16-18(7-10-23(22)33-4)25(31)29-14-11-26(12-15-29)24-6-5-13-30(24)21-9-8-19(32-3)17-20(21)27-26/h5-10,13,16-17,27H,11-12,14-15H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.05E+4n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 channel expressed in HEK293 cells by whole cell voltage clamp technique


Bioorg Med Chem Lett 24: 4110-3 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.060
BindingDB Entry DOI: 10.7270/Q24M9656
More data for this
Ligand-Target Pair