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7 similar compounds to monomer 154023

Compile data set for download or QSAR
Wt: 452.5
BDBM154021
Wt: 376.4
BDBM154020
Wt: 434.4
BDBM154024
Wt: 404.5
BDBM154025
Wt: 374.4
BDBM154085
Wt: 434.5
BDBM154027
Wt: 447.5
BDBM154026

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 154021,154020,154024,154025,154085,154027,154026   
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))
BDBM154020
PNG
(US9012443, 13)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOCC1
Show InChI InChI=1S/C16H16N4O3S2/c21-25(22,19-16-17-11-18-24-16)13-4-5-14-12(10-13)2-1-3-15(14)20-6-8-23-9-7-20/h1-5,10-11H,6-9H2,(H,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.56E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154021
PNG
(US9012443, 14 (isomer 1) | US9012443, 14 (isomer 2...)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1/C22H20N4O3S2/c27-31(28,25-22-23-15-24-30-22)18-9-10-19-17(13-18)7-4-8-20(19)26-11-12-29-21(14-26)16-5-2-1-3-6-16/h1-10,13,15,21H,11-12,14H2,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154021
PNG
(US9012443, 14 (isomer 1) | US9012443, 14 (isomer 2...)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1/C22H20N4O3S2/c27-31(28,25-22-23-15-24-30-22)18-9-10-19-17(13-18)7-4-8-20(19)26-11-12-29-21(14-26)16-5-2-1-3-6-16/h1-10,13,15,21H,11-12,14H2,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 520n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154021
PNG
(US9012443, 14 (isomer 1) | US9012443, 14 (isomer 2...)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1/C22H20N4O3S2/c27-31(28,25-22-23-15-24-30-22)18-9-10-19-17(13-18)7-4-8-20(19)26-11-12-29-21(14-26)16-5-2-1-3-6-16/h1-10,13,15,21H,11-12,14H2,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 300n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154024
PNG
(US9012443, 17)
Show SMILES COC(=O)C1CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C18H18N4O5S2/c1-26-17(23)16-10-22(7-8-27-16)15-4-2-3-12-9-13(5-6-14(12)15)29(24,25)21-18-19-11-20-28-18/h2-6,9,11,16H,7-8,10H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4.56E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154085
PNG
(US9012443, 91)
Show SMILES CC1CCCN1c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C17H18N4O2S2/c1-12-4-3-9-21(12)16-6-2-5-13-10-14(7-8-15(13)16)25(22,23)20-17-18-11-19-24-17/h2,5-8,10-12H,3-4,9H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.47E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154026
PNG
(US9012443, 19)
Show SMILES CN(C)C(=O)C1CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C19H21N5O4S2/c1-23(2)18(25)17-11-24(8-9-28-17)16-5-3-4-13-10-14(6-7-15(13)16)30(26,27)22-19-20-12-21-29-19/h3-7,10,12,17H,8-9,11H2,1-2H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.18E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154027
PNG
(US9012443, 20)
Show SMILES CC(C)(O)C1CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C19H22N4O4S2/c1-19(2,24)17-11-23(8-9-27-17)16-5-3-4-13-10-14(6-7-15(13)16)29(25,26)22-18-20-12-21-28-18/h3-7,10,12,17,24H,8-9,11H2,1-2H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.14E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154085
PNG
(US9012443, 91)
Show SMILES CC1CCCN1c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C17H18N4O2S2/c1-12-4-3-9-21(12)16-6-2-5-13-10-14(7-8-15(13)16)25(22,23)20-17-18-11-19-24-17/h2,5-8,10-12H,3-4,9H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 270n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM154021
PNG
(US9012443, 14 (isomer 1) | US9012443, 14 (isomer 2...)
Show SMILES O=S(=O)(Nc1ncns1)c1ccc2c(cccc2c1)N1CCOC(C1)c1ccccc1
Show InChI InChI=1/C22H20N4O3S2/c27-31(28,25-22-23-15-24-30-22)18-9-10-19-17(13-18)7-4-8-20(19)26-11-12-29-21(14-26)16-5-2-1-3-6-16/h1-10,13,15,21H,11-12,14H2,(H,23,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 cells stably transfected with Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system acco...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154025
PNG
(US9012443, 18)
Show SMILES CCC1CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
Show InChI InChI=1/C18H20N4O3S2/c1-2-14-11-22(8-9-25-14)17-5-3-4-13-10-15(6-7-16(13)17)27(23,24)21-18-19-12-20-26-18/h3-7,10,12,14H,2,8-9,11H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 710n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair