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PubMed code 9703475

Compile data set for download or QSAR
Found 19 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066417
PNG
(CHEMBL112806 | N-(4-Benzyloxy-phenyl)-N'-(4-tert-b...)
Show SMILES CC(C)(C)c1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C24H27N3O/c1-24(2,3)19-9-11-20(12-10-19)26-23(25)27-21-13-15-22(16-14-21)28-17-18-7-5-4-6-8-18/h4-16H,17H2,1-3H3,(H3,25,26,27)
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n/an/a 110n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066427
PNG
(CHEMBL109210 | N,N'-Bis-(4-butyl-phenyl)-guanidine)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(CCCC)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C21H29N3/c1-3-5-7-17-9-13-19(14-10-17)23-21(22)24-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H3,22,23,24)
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n/an/a 130n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066420
PNG
(CHEMBL112132 | N-(4-Benzyloxy-phenyl)-N'-(4-butyl-...)
Show SMILES CCCCc1ccc(NC(N)=Nc2ccc(OCc3ccccc3)cc2)cc1 |w:11.11|
Show InChI InChI=1S/C24H27N3O/c1-2-3-7-19-10-12-21(13-11-19)26-24(25)27-22-14-16-23(17-15-22)28-18-20-8-5-4-6-9-20/h4-6,8-17H,2-3,7,18H2,1H3,(H3,25,26,27)
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n/an/a 140n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066423
PNG
(CHEMBL326502 | N,N'-Bis-(4-butoxy-phenyl)-guanidin...)
Show SMILES CCCCOc1ccc(NC(N)=Nc2ccc(OCCCC)cc2)cc1 |w:12.12|
Show InChI InChI=1S/C21H29N3O2/c1-3-5-15-25-19-11-7-17(8-12-19)23-21(22)24-18-9-13-20(14-10-18)26-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H3,22,23,24)
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n/an/a 190n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066425
PNG
(CHEMBL112515 | N,N'-Bis-(4-phenoxy-phenyl)-guanidi...)
Show SMILES NC(Nc1ccc(Oc2ccccc2)cc1)=Nc1ccc(Oc2ccccc2)cc1 |w:16.18|
Show InChI InChI=1S/C25H21N3O2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
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n/an/a 430n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50010754
PNG
(CHEMBL81626 | N,N'-Bis-(4-isopropyl-phenyl)-guanid...)
Show SMILES CC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)C)cc1 |w:10.10|
Show InChI InChI=1S/C19H25N3/c1-13(2)15-5-9-17(10-6-15)21-19(20)22-18-11-7-16(8-12-18)14(3)4/h5-14H,1-4H3,(H3,20,21,22)
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n/an/a 460n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066428
PNG
(CHEMBL326774 | N-Acenaphthen-5-yl-N'-(4-sec-butyl-...)
Show SMILES CCC(C)c1ccc(NC(N)=Nc2ccc3CCc4cccc2c34)cc1 |w:11.11|
Show InChI InChI=1S/C23H25N3/c1-3-15(2)16-9-12-19(13-10-16)25-23(24)26-21-14-11-18-8-7-17-5-4-6-20(21)22(17)18/h4-6,9-15H,3,7-8H2,1-2H3,(H3,24,25,26)
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n/an/a 680n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066057
PNG
(CHEMBL110909 | CHEMBL320199 | N,N'-Bis-(4-sec-buty...)
Show SMILES CCC(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)CC)cc1 |w:11.11|
Show InChI InChI=1S/C21H29N3/c1-5-15(3)17-7-11-19(12-8-17)23-21(22)24-20-13-9-18(10-14-20)16(4)6-2/h7-16H,5-6H2,1-4H3,(H3,22,23,24)
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n/an/a 800n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066419
PNG
(CHEMBL326741 | N,N'-Bis-(4-hexyl-phenyl)-guanidine)
Show SMILES CCCCCCc1ccc(NC(N)=Nc2ccc(CCCCCC)cc2)cc1 |w:13.13|
Show InChI InChI=1S/C25H37N3/c1-3-5-7-9-11-21-13-17-23(18-14-21)27-25(26)28-24-19-15-22(16-20-24)12-10-8-6-4-2/h13-20H,3-12H2,1-2H3,(H3,26,27,28)
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n/an/a 830n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066424
PNG
(CHEMBL331126 | N,N'-Bis-(4-phenylsulfanyl-phenyl)-...)
Show SMILES NC(Nc1ccc(Sc2ccccc2)cc1)=Nc1ccc(Sc2ccccc2)cc1 |w:16.18|
Show InChI InChI=1S/C25H21N3S2/c26-25(27-19-11-15-23(16-12-19)29-21-7-3-1-4-8-21)28-20-13-17-24(18-14-20)30-22-9-5-2-6-10-22/h1-18H,(H3,26,27,28)
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n/an/a 840n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066422
PNG
(CHEMBL326130 | N,N'-Bis-biphenyl-4-yl-guanidine)
Show SMILES NC(Nc1ccc(cc1)-c1ccccc1)=Nc1ccc(cc1)-c1ccccc1 |w:15.17|
Show InChI InChI=1S/C25H21N3/c26-25(27-23-15-11-21(12-16-23)19-7-3-1-4-8-19)28-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H3,26,27,28)
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n/an/a 850n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50010736
PNG
(CHEMBL78083 | N,N'-Bis-(4-ethyl-phenyl)-guanidine)
Show SMILES CCc1ccc(NC(N)=Nc2ccc(CC)cc2)cc1 |w:9.9|
Show InChI InChI=1S/C17H21N3/c1-3-13-5-9-15(10-6-13)19-17(18)20-16-11-7-14(4-2)8-12-16/h5-12H,3-4H2,1-2H3,(H3,18,19,20)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066421
PNG
(CHEMBL320340 | N,N'-Bis-(4-tert-butyl-phenyl)-guan...)
Show SMILES CC(C)(C)c1ccc(NC(N)=Nc2ccc(cc2)C(C)(C)C)cc1 |w:11.11|
Show InChI InChI=1S/C21H29N3/c1-20(2,3)15-7-11-17(12-8-15)23-19(22)24-18-13-9-16(10-14-18)21(4,5)6/h7-14H,1-6H3,(H3,22,23,24)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066068
PNG
(CHEMBL28853 | N-Acenaphthen-5-yl-N'-(4-methoxy-nap...)
Show SMILES COc1ccc(N=C(N)Nc2ccc3CCc4cccc2c34)c2ccccc12 |w:6.5|
Show InChI InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-6-2-3-7-18(17)22)26-24(25)27-21-12-11-16-10-9-15-5-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H3,25,26,27)
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n/an/a 1.64E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066429
PNG
(CHEMBL325215 | N-(4-Butoxy-phenyl)-N'-[4-(4-hydrox...)
Show SMILES CCCCOc1ccc(cc1)N=C(N)Nc1ccc(CCCCO)cc1 |w:11.11|
Show InChI InChI=1S/C21H29N3O2/c1-2-3-16-26-20-13-11-19(12-14-20)24-21(22)23-18-9-7-17(8-10-18)6-4-5-15-25/h7-14,25H,2-6,15-16H2,1H3,(H3,22,23,24)
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n/an/a 1.78E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066430
PNG
(2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phe...)
Show SMILES CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM30705
PNG
(CHEMBL744 | MLS000069369 | RILUZOLE | SMR000058231...)
Show SMILES Nc1nc2ccc(OC(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
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n/an/a 4.73E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50066426
PNG
(CHEMBL114716 | N,N'-Bis-[4-(4-hydroxy-butyl)-pheny...)
Show SMILES NC(Nc1ccc(CCCCO)cc1)=Nc1ccc(CCCCO)cc1 |w:14.15|
Show InChI InChI=1S/C21H29N3O2/c22-21(23-19-11-7-17(8-12-19)5-1-3-15-25)24-20-13-9-18(10-14-20)6-2-4-16-26/h7-14,25-26H,1-6,15-16H2,(H3,22,23,24)
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n/an/a 8.19E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
Sodium channel protein type 2 subunit alpha


(Rattus norvegicus)
BDBM50010743
PNG
(N,N'-Di-p-tolyl-guanidine)
Show SMILES Cc1ccc(NC(N)=Nc2ccc(C)cc2)cc1 |w:8.8|
Show InChI InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
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n/an/a 9.21E+3n/an/an/an/an/an/a



Cambridge NeuroScience, Inc.

Curated by ChEMBL


Assay Description
Sodium channel block, determined by % block of [14C]guanidinium flux in CHO line expressing rat type IIA sodium channels derived from rat brain


J Med Chem 41: 3298-302 (1998)


Article DOI: 10.1021/jm980134b
BindingDB Entry DOI: 10.7270/Q2Q52Q8W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%