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4 similar compounds to monomer 50349984

Compile data set for download or QSAR
Wt: 446.5
BDBM50349985
Wt: 502.4
BDBM50349988
Wt: 462.5
BDBM50349992
Wt: 432.5
BDBM50350003

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50349985,50349988,50349992,50350003   
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))
BDBM50349992
PNG
(CHEMBL1813047)
Show SMILES COc1ccc(COC2CCN(CC2)c2ncnc(Nc3cccc(NC(C)=O)c3C)n2)cc1
Show InChI InChI=1S/C25H30N6O3/c1-17-22(28-18(2)32)5-4-6-23(17)29-24-26-16-27-25(30-24)31-13-11-21(12-14-31)34-15-19-7-9-20(33-3)10-8-19/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)
PDB

KEGG

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349988
PNG
(CHEMBL1813050)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C24H25F3N6O3/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-18(11-13-33)35-17-6-8-19(9-7-17)36-24(25,26)27/h3-9,14,18H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50349985
PNG
(CHEMBL1813043)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C
Show InChI InChI=1S/C25H30N6O2/c1-17-7-9-20(10-8-17)15-33-21-11-13-31(14-12-21)25-27-16-26-24(30-25)29-23-6-4-5-22(18(23)2)28-19(3)32/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50349988
PNG
(CHEMBL1813050)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C24H25F3N6O3/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-18(11-13-33)35-17-6-8-19(9-7-17)36-24(25,26)27/h3-9,14,18H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
PDB

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PC sid
UniChem

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PubMed
n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cardiac sodium channel Nav1.5 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50349985
PNG
(CHEMBL1813043)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccc(C)cc2)c1C
Show InChI InChI=1S/C25H30N6O2/c1-17-7-9-20(10-8-17)15-33-21-11-13-31(14-12-21)25-27-16-26-24(30-25)29-23-6-4-5-22(18(23)2)28-19(3)32/h4-10,16,21H,11-15H2,1-3H3,(H,28,32)(H,26,27,29,30)
PDB
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KEGG

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n/an/a 1.93E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50349988
PNG
(CHEMBL1813050)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)Oc2ccc(OC(F)(F)F)cc2)c1C
Show InChI InChI=1S/C24H25F3N6O3/c1-15-20(30-16(2)34)4-3-5-21(15)31-22-28-14-29-23(32-22)33-12-10-18(11-13-33)35-17-6-8-19(9-7-17)36-24(25,26)27/h3-9,14,18H,10-13H2,1-2H3,(H,30,34)(H,28,29,31,32)
PDB
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n/an/a 2.60E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Erg expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50350003
PNG
(CHEMBL1813033)
Show SMILES CC(=O)Nc1cccc(Nc2ncnc(n2)N2CCC(CC2)OCc2ccccc2)c1C
Show InChI InChI=1S/C24H28N6O2/c1-17-21(27-18(2)31)9-6-10-22(17)28-23-25-16-26-24(29-23)30-13-11-20(12-14-30)32-15-19-7-4-3-5-8-19/h3-10,16,20H,11-15H2,1-2H3,(H,27,31)(H,25,26,28,29)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 expressed in human HEK293 cells by patch-clamp electrophysiological assay


J Med Chem 54: 4427-45 (2011)


Article DOI: 10.1021/jm200018k
BindingDB Entry DOI: 10.7270/Q2N016W1
More data for this
Ligand-Target Pair