Found 57 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344869
(1'-pentyl-6H-spiro[benzofuro[6,5-d][1,3]dioxole-7,...)Show InChI InChI=1S/C21H21NO4/c1-2-3-6-9-22-16-8-5-4-7-14(16)21(20(22)23)12-24-17-11-19-18(10-15(17)21)25-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344821
(10-hydroxymethyl-5-imino-(2S)-12,13-dioxa-4,6-diaz...)Show SMILES NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO |r,t:1,TLB:13:12:16:6.7.5,18:11:16:6.7.5,18:6:16:11.10.12,19:18:7:16.14.5,20:18:7:16.14.5,THB:12:11:7:16.14.5,3:5:16:11.10.12| Show InChI InChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2-,3-,4-,5+,6-,7+,9+,10-,11+/m1/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344834
(3-(benzo[d][1,3]dioxol-5-yl)-1-(2-cyclopropylethyl...)Show InChI InChI=1S/C20H19NO4/c22-19-20(23,14-7-8-17-18(11-14)25-12-24-17)15-3-1-2-4-16(15)21(19)10-9-13-5-6-13/h1-4,7-8,11,13,23H,5-6,9-10,12H2 | PDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344859
(3-amino-3-(benzo[d][1,3]dioxol-5-yl)-1-pentylindol...)Show InChI InChI=1S/C20H22N2O3/c1-2-3-6-11-22-16-8-5-4-7-15(16)20(21,19(22)23)14-9-10-17-18(12-14)25-13-24-17/h4-5,7-10,12H,2-3,6,11,13,21H2,1H3 | PDB
KEGG
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344835
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-pentylind...)Show InChI InChI=1S/C20H21NO4/c1-2-3-6-11-21-16-8-5-4-7-15(16)20(23,19(21)22)14-9-10-17-18(12-14)25-13-24-17/h4-5,7-10,12,23H,2-3,6,11,13H2,1H3 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344837
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-(4-methox...)Show SMILES COc1ccc(CN2C(=O)C(O)(c3ccccc23)c2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C23H19NO5/c1-27-17-9-6-15(7-10-17)13-24-19-5-3-2-4-18(19)23(26,22(24)25)16-8-11-20-21(12-16)29-14-28-20/h2-12,26H,13-14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344836
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-(3-methyl...)Show SMILES CCC(C)CCN1C(=O)C(O)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H23NO4/c1-3-14(2)10-11-22-17-7-5-4-6-16(17)21(24,20(22)23)15-8-9-18-19(12-15)26-13-25-18/h4-9,12,14,24H,3,10-11,13H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344839
(3-(benzo[d][1,3]dioxol-5-yl)-1-((5-chlorothiophen-...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)s2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H14ClNO4S/c21-18-8-6-13(27-18)10-22-15-4-2-1-3-14(15)20(24,19(22)23)12-5-7-16-17(9-12)26-11-25-16/h1-9,24H,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344840
(3-(benzo[d][1,3]dioxol-5-yl)-1-(benzo[d][1,3]dioxo...)Show SMILES OC1(C(=O)N(Cc2ccc3OCOc3c2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H17NO6/c25-22-23(26,15-6-8-19-21(10-15)30-13-28-19)16-3-1-2-4-17(16)24(22)11-14-5-7-18-20(9-14)29-12-27-18/h1-10,26H,11-13H2 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344838
(3-(benzo[d][1,3]dioxol-5-yl)-1-benzyl-3-hydroxyind...)Show SMILES OC1(C(=O)N(Cc2ccccc2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H17NO4/c24-21-22(25,16-10-11-19-20(12-16)27-14-26-19)17-8-4-5-9-18(17)23(21)13-15-6-2-1-3-7-15/h1-12,25H,13-14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344842
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-isopentyl...)Show InChI InChI=1S/C20H21NO4/c1-13(2)9-10-21-16-6-4-3-5-15(16)20(23,19(21)22)14-7-8-17-18(11-14)25-12-24-17/h3-8,11,13,23H,9-10,12H2,1-2H3 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344841
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-(4,4,4-tr...)Show SMILES OC1(C(=O)N(CCCC(F)(F)F)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H16F3NO4/c20-18(21,22)8-3-9-23-14-5-2-1-4-13(14)19(25,17(23)24)12-6-7-15-16(10-12)27-11-26-15/h1-2,4-7,10,25H,3,8-9,11H2 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344843
(3-(benzo[d][1,3]dioxol-5-yl)-1-(cyclopropylmethyl)...)Show InChI InChI=1S/C19H17NO4/c21-18-19(22,13-7-8-16-17(9-13)24-11-23-16)14-3-1-2-4-15(14)20(18)10-12-5-6-12/h1-4,7-9,12,22H,5-6,10-11H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344845
(3-(benzo[d][1,3]dioxol-5-yl)-1-(4-fluorobenzyl)-3-...)Show SMILES OC1(C(=O)N(Cc2ccc(F)cc2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H16FNO4/c23-16-8-5-14(6-9-16)12-24-18-4-2-1-3-17(18)22(26,21(24)25)15-7-10-19-20(11-15)28-13-27-19/h1-11,26H,12-13H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344844
(3-(benzo[d][1,3]dioxol-5-yl)-1-hexyl-3-hydroxyindo...)Show InChI InChI=1S/C21H23NO4/c1-2-3-4-7-12-22-17-9-6-5-8-16(17)21(24,20(22)23)15-10-11-18-19(13-15)26-14-25-18/h5-6,8-11,13,24H,2-4,7,12,14H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344846
(3-(benzo[d][1,3]dioxol-5-yl)-1-(cyclohexylmethyl)-...)Show SMILES OC1(C(=O)N(CC2CCCCC2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H23NO4/c24-21-22(25,16-10-11-19-20(12-16)27-14-26-19)17-8-4-5-9-18(17)23(21)13-15-6-2-1-3-7-15/h4-5,8-12,15,25H,1-3,6-7,13-14H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344847
(3-(benzo[d][1,3]dioxol-5-yl)-1-(cyclobutylmethyl)-...)Show InChI InChI=1S/C20H19NO4/c22-19-20(23,14-8-9-17-18(10-14)25-12-24-17)15-6-1-2-7-16(15)21(19)11-13-4-3-5-13/h1-2,6-10,13,23H,3-5,11-12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344848
(3-(benzo[d][1,3]dioxol-5-yl)-1-(3,4-difluorobenzyl...)Show SMILES OC1(C(=O)N(Cc2ccc(F)c(F)c2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H15F2NO4/c23-16-7-5-13(9-17(16)24)11-25-18-4-2-1-3-15(18)22(27,21(25)26)14-6-8-19-20(10-14)29-12-28-19/h1-10,27H,11-12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344822
(3-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorobenzyl)-3-...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H16ClNO4/c23-16-8-5-14(6-9-16)12-24-18-4-2-1-3-17(18)22(26,21(24)25)15-7-10-19-20(11-15)28-13-27-19/h1-11,26H,12-13H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344818
(1-(4-chlorobenzyl)-3-hydroxy-3-(2-oxo-2-(thiophen-...)Show SMILES OC1(CC(=O)c2cccs2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C21H16ClNO3S/c22-15-9-7-14(8-10-15)13-23-17-5-2-1-4-16(17)21(26,20(23)25)12-18(24)19-6-3-11-27-19/h1-11,26H,12-13H2 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344849
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-(4-(trifl...)Show SMILES OC1(C(=O)N(Cc2ccc(cc2)C(F)(F)F)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H16F3NO4/c24-23(25,26)15-7-5-14(6-8-15)12-27-18-4-2-1-3-17(18)22(29,21(27)28)16-9-10-19-20(11-16)31-13-30-19/h1-11,29H,12-13H2 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344823
(1-(4-chlorobenzyl)-3-hydroxy-3-(6-methoxypyridin-3...)Show SMILES COc1ccc(cn1)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C21H17ClN2O3/c1-27-19-11-8-15(12-23-19)21(26)17-4-2-3-5-18(17)24(20(21)25)13-14-6-9-16(22)10-7-14/h2-12,26H,13H2,1H3 | PDB
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344817
(1-(4-chlorobenzyl)-3-(2-(furan-2-yl)-2-oxoethyl)-3...)Show SMILES OC1(CC(=O)c2ccco2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C21H16ClNO4/c22-15-9-7-14(8-10-15)13-23-17-5-2-1-4-16(17)21(26,20(23)25)12-18(24)19-6-3-11-27-19/h1-11,26H,12-13H2 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344870
(1'-pentyl-6,7-dihydrospiro[indeno[5,6-d][1,3]dioxo...)Show InChI InChI=1S/C22H23NO3/c1-2-3-6-11-23-18-8-5-4-7-16(18)22(21(23)24)10-9-15-12-19-20(13-17(15)22)26-14-25-19/h4-5,7-8,12-13H,2-3,6,9-11,14H2,1H3 | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344824
(1-(4-chlorobenzyl)-3-(2,3-dihydrobenzo[b][1,4]diox...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2OCCOc2c1 Show InChI InChI=1S/C23H18ClNO4/c24-17-8-5-15(6-9-17)14-25-19-4-2-1-3-18(19)23(27,22(25)26)16-7-10-20-21(13-16)29-12-11-28-20/h1-10,13,27H,11-12,14H2 | PDB
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344853
(3-(benzo[d][1,3]dioxol-5-yl)-3-(hydroxymethyl)-1-p...)Show InChI InChI=1S/C21H23NO4/c1-2-3-6-11-22-17-8-5-4-7-16(17)21(13-23,20(22)24)15-9-10-18-19(12-15)26-14-25-18/h4-5,7-10,12,23H,2-3,6,11,13-14H2,1H3 | PDB
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| n/a | n/a | 630 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344858
(3-(benzo[d][1,3]dioxol-5-yl)-N-benzyl-2-oxo-1-pent...)Show SMILES CCCCCN1C(=O)C(C(=O)NCc2ccccc2)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C28H28N2O4/c1-2-3-9-16-30-23-13-8-7-12-22(23)28(27(30)32,21-14-15-24-25(17-21)34-19-33-24)26(31)29-18-20-10-5-4-6-11-20/h4-8,10-15,17H,2-3,9,16,18-19H2,1H3,(H,29,31) | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344872
(1-pentyl-7'H-spiro[indoline-3,5'-isobenzofuro[5,6-...)Show InChI InChI=1S/C21H21NO4/c1-2-3-6-9-22-17-8-5-4-7-15(17)21(20(22)23)16-11-19-18(24-13-25-19)10-14(16)12-26-21/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344825
(1-(4-chlorobenzyl)-3-hydroxy-3-(3-methoxyphenyl)in...)Show SMILES COc1cccc(c1)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c1-27-18-6-4-5-16(13-18)22(26)19-7-2-3-8-20(19)24(21(22)25)14-15-9-11-17(23)12-10-15/h2-13,26H,14H2,1H3 | PDB
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| Article
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| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344871
(1-pentyl-7',8'-dihydro-6'H-spiro[indoline-3,5'-nap...)Show InChI InChI=1S/C23H25NO3/c1-2-3-6-12-24-19-10-5-4-9-17(19)23(22(24)25)11-7-8-16-13-20-21(14-18(16)23)27-15-26-20/h4-5,9-10,13-14H,2-3,6-8,11-12,15H2,1H3 | PDB
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| n/a | n/a | 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344826
(1-(4-chlorobenzyl)-3-hydroxy-3-phenylindolin-2-one...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C21H16ClNO2/c22-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)21(25,20(23)24)16-6-2-1-3-7-16/h1-13,25H,14H2 | PDB
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| n/a | n/a | 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344855
(3-(benzo[d][1,3]dioxol-5-yl)-3-methyl-1-pentylindo...)Show InChI InChI=1S/C21H23NO3/c1-3-4-7-12-22-17-9-6-5-8-16(17)21(2,20(22)23)15-10-11-18-19(13-15)25-14-24-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3 | PDB
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| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344852
(3-(benzo[d][1,3]dioxol-5-yl)-1-pentylindolin-2-one...)Show InChI InChI=1S/C20H21NO3/c1-2-3-6-11-21-16-8-5-4-7-15(16)19(20(21)22)14-9-10-17-18(12-14)24-13-23-17/h4-5,7-10,12,19H,2-3,6,11,13H2,1H3 | PDB
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PC sid
UniChem
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| n/a | n/a | 1.74E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344868
(1-pentyl-6'H-spiro[indoline-3,5'-naphtho[2,3-d][1,...)Show SMILES CCCCCN1C(=O)C2(CCC(=O)c3cc4OCOc4cc23)c2ccccc12 Show InChI InChI=1S/C23H23NO4/c1-2-3-6-11-24-18-8-5-4-7-16(18)23(22(24)26)10-9-19(25)15-12-20-21(13-17(15)23)28-14-27-20/h4-5,7-8,12-13H,2-3,6,9-11,14H2,1H3 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344856
(CHEMBL1780048 | methyl-3-(benzo[d][1,3]dioxol-5-yl...)Show SMILES CCCCCN1C(=O)C(C(=O)OC)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H23NO5/c1-3-4-7-12-23-17-9-6-5-8-16(17)22(20(23)24,21(25)26-2)15-10-11-18-19(13-15)28-14-27-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3 | PDB
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PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344850
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxy-1-(naphthal...)Show SMILES OC1(C(=O)N(Cc2cccc3ccccc23)c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C26H19NO4/c28-25-26(29,19-12-13-23-24(14-19)31-16-30-23)21-10-3-4-11-22(21)27(25)15-18-8-5-7-17-6-1-2-9-20(17)18/h1-14,29H,15-16H2 | PDB
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| Article
PubMed
| n/a | n/a | 2.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344827
(1-(4-chlorobenzyl)-3-(3,4-dihydro-2H-benzo[b][1,4]...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2OCCCOc2c1 Show InChI InChI=1S/C24H20ClNO4/c25-18-9-6-16(7-10-18)15-26-20-5-2-1-4-19(20)24(28,23(26)27)17-8-11-21-22(14-17)30-13-3-12-29-21/h1-2,4-11,14,28H,3,12-13,15H2 | PDB
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| n/a | n/a | 3.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344867
(1'-pentylspiro[indeno[5,6-d][1,3]dioxole-5,3'-indo...)Show SMILES CCCCCN1C(=O)C2(CC(=O)c3cc4OCOc4cc23)c2ccccc12 Show InChI InChI=1S/C22H21NO4/c1-2-3-6-9-23-17-8-5-4-7-15(17)22(21(23)25)12-18(24)14-10-19-20(11-16(14)22)27-13-26-19/h4-5,7-8,10-11H,2-3,6,9,12-13H2,1H3 | PDB
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| n/a | n/a | 3.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344828
(1-(4-chlorobenzyl)-3-(furan-3-yl)-3-hydroxyindolin...)Show InChI InChI=1S/C19H14ClNO3/c20-15-7-5-13(6-8-15)11-21-17-4-2-1-3-16(17)19(23,18(21)22)14-9-10-24-12-14/h1-10,12,23H,11H2 | PDB
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| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344865
(2-(3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindo...)Show SMILES CCCCCN1C(=O)C(CC(=O)NC)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H26N2O4/c1-3-4-7-12-25-18-9-6-5-8-17(18)23(22(25)27,14-21(26)24-2)16-10-11-19-20(13-16)29-15-28-19/h5-6,8-11,13H,3-4,7,12,14-15H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344854
(3-(benzo[d][1,3]dioxol-5-yl)-3-methoxy-1-pentylind...)Show InChI InChI=1S/C21H23NO4/c1-3-4-7-12-22-17-9-6-5-8-16(17)21(24-2,20(22)23)15-10-11-18-19(13-15)26-14-25-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344860
(CHEMBL1780052 | methyl-2-(3-(benzo[d][1,3]dioxol-5...)Show SMILES CCCCCN1C(=O)C(CC(=O)OC)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H25NO5/c1-3-4-7-12-24-18-9-6-5-8-17(18)23(22(24)26,14-21(25)27-2)16-10-11-19-20(13-16)29-15-28-19/h5-6,8-11,13H,3-4,7,12,14-15H2,1-2H3 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344863
(3-(3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindo...)Show SMILES CCCCCN1C(=O)C(CCC(O)=O)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H25NO5/c1-2-3-6-13-24-18-8-5-4-7-17(18)23(22(24)27,12-11-21(25)26)16-9-10-19-20(14-16)29-15-28-19/h4-5,7-10,14H,2-3,6,11-13,15H2,1H3,(H,25,26) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344864
(2-(3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindo...)Show SMILES CCCCCN1C(=O)C(CC(N)=O)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N2O4/c1-2-3-6-11-24-17-8-5-4-7-16(17)22(21(24)26,13-20(23)25)15-9-10-18-19(12-15)28-14-27-18/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H2,23,25) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344862
(2-(3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindo...)Show SMILES CCCCCN1C(=O)C(CC(O)=O)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H23NO5/c1-2-3-6-11-23-17-8-5-4-7-16(17)22(21(23)26,13-20(24)25)15-9-10-18-19(12-15)28-14-27-18/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3,(H,24,25) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344861
(CHEMBL1780053 | methyl-3-(3-(benzo[d][1,3]dioxol-5...)Show SMILES CCCCCN1C(=O)C(CCC(=O)OC)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H27NO5/c1-3-4-7-14-25-19-9-6-5-8-18(19)24(23(25)27,13-12-22(26)28-2)17-10-11-20-21(15-17)30-16-29-20/h5-6,8-11,15H,3-4,7,12-14,16H2,1-2H3 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344866
(2-(3-(benzo[d][1,3]dioxol-5-yl)-2-oxo-1-pentylindo...)Show SMILES CCCCCN1C(=O)C(CC(=O)N(C)C)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H28N2O4/c1-4-5-8-13-26-19-10-7-6-9-18(19)24(23(26)28,15-22(27)25(2)3)17-11-12-20-21(14-17)30-16-29-20/h6-7,9-12,14H,4-5,8,13,15-16H2,1-3H3 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344851
(3-(benzo[d][1,3]dioxol-5-yl)-3-hydroxyindolin-2-on...)Show InChI InChI=1S/C15H11NO4/c17-14-15(18,10-3-1-2-4-11(10)16-14)9-5-6-12-13(7-9)20-8-19-12/h1-7,18H,8H2,(H,16,17) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344833
(3-(benzofuran-6-yl)-1-(4-chlorobenzyl)-3-hydroxyin...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2ccoc2c1 Show InChI InChI=1S/C23H16ClNO3/c24-18-9-5-15(6-10-18)14-25-20-4-2-1-3-19(20)23(27,22(25)26)17-8-7-16-11-12-28-21(16)13-17/h1-13,27H,14H2 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344857
(3-(benzo[d][1,3]dioxol-5-yl)-N-methyl-2-oxo-1-pent...)Show SMILES CCCCCN1C(=O)C(C(=O)NC)(c2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C22H24N2O4/c1-3-4-7-12-24-17-9-6-5-8-16(17)22(21(24)26,20(25)23-2)15-10-11-18-19(13-15)28-14-27-18/h5-6,8-11,13H,3-4,7,12,14H2,1-2H3,(H,23,25) | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344832
(1-(4-chlorobenzyl)-3-(2,2-difluorobenzo[d][1,3]dio...)Show SMILES OC1(C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2OC(F)(F)Oc2c1 Show InChI InChI=1S/C22H14ClF2NO4/c23-15-8-5-13(6-9-15)12-26-17-4-2-1-3-16(17)21(28,20(26)27)14-7-10-18-19(11-14)30-22(24,25)29-18/h1-11,28H,12H2 | PDB
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| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344829
(1-(4-chlorobenzyl)-3-hydroxy-3-(2-methoxyphenyl)in...)Show SMILES COc1ccccc1C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c1-27-20-9-5-3-7-18(20)22(26)17-6-2-4-8-19(17)24(21(22)25)14-15-10-12-16(23)13-11-15/h2-13,26H,14H2,1H3 | PDB
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| n/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344819
(1-(4-chlorobenzyl)-3-hydroxy-3-(2-methyl-1-oxo-1-(...)Show SMILES CC(C)(C(=O)c1cccs1)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C23H20ClNO3S/c1-22(2,20(26)19-8-5-13-29-19)23(28)17-6-3-4-7-18(17)25(21(23)27)14-15-9-11-16(24)12-10-15/h3-13,28H,14H2,1-2H3 | PDB
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| n/a | n/a | 6.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344830
(1-(4-chlorobenzyl)-3-(3,4-dimethoxyphenyl)-3-hydro...)Show SMILES COc1ccc(cc1OC)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C23H20ClNO4/c1-28-20-12-9-16(13-21(20)29-2)23(27)18-5-3-4-6-19(18)25(22(23)26)14-15-7-10-17(24)11-8-15/h3-13,27H,14H2,1-2H3 | PDB
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| n/a | n/a | 6.14E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344831
(1-(4-chlorobenzyl)-3-hydroxy-3-(4-methoxyphenyl)in...)Show SMILES COc1ccc(cc1)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C22H18ClNO3/c1-27-18-12-8-16(9-13-18)22(26)19-4-2-3-5-20(19)24(21(22)25)14-15-6-10-17(23)11-7-15/h2-13,26H,14H2,1H3 | PDB
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| n/a | n/a | 7.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50017659
(2-(Dimethylamino)ethyl p-(butylamino)benzoate | 2-...)Show InChI InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3 | PDB
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PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50344820
(1-(4-chlorobenzyl)-3-hydroxy-3-(thiophene-2-carbon...)Show SMILES OC1(C(=O)c2cccs2)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12 Show InChI InChI=1S/C20H14ClNO3S/c21-14-9-7-13(8-10-14)12-22-16-5-2-1-4-15(16)20(25,19(22)24)18(23)17-6-3-11-26-17/h1-11,25H,12H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by [14C]guanidinium influx assay |
Bioorg Med Chem Lett 21: 3676-81 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.088
BindingDB Entry DOI: 10.7270/Q2PC32PJ |
More data for this
Ligand-Target Pair | |
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