Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50000210 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50240267
(CHEMBL2325014)Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells measured after 5 to 10 mins post compound washout by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50242510
(CHEMBL4095146)Show SMILES C[C@H](c1ccccc1CN)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1 |r| Show InChI InChI=1S/C21H18F2N4O4S/c1-12(14-6-3-2-5-13(14)11-24)27-16-9-15(22)18(10-17(16)31-21(27)28)32(29,30)26-20-8-4-7-19(23)25-20/h2-10,12H,11,24H2,1H3,(H,25,26)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated mouse Nav1.7alpha incubated for 5 mins measured at 10 secs interval by PatchXpress automated electrophysiology method |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 2 subunit alpha
(Homo sapiens (Human)) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.2 (unknown origin) |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 channel in human DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242510
(CHEMBL4095146)Show SMILES C[C@H](c1ccccc1CN)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1 |r| Show InChI InChI=1S/C21H18F2N4O4S/c1-12(14-6-3-2-5-13(14)11-24)27-16-9-15(22)18(10-17(16)31-21(27)28)32(29,30)26-20-8-4-7-19(23)25-20/h2-10,12H,11,24H2,1H3,(H,25,26)/t12-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242508
(CHEMBL4084948)Show SMILES C[C@H](c1ccccc1)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C17H14N4O4S2/c1-11(12-5-3-2-4-6-12)21-14-8-7-13(9-15(14)25-17(21)22)27(23,24)20-16-18-10-19-26-16/h2-11H,1H3,(H,18,19,20)/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Mus musculus) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 channel in mouse DRG neurons assessed as reduction of TTX-sensitive current by whole cell patch clamp assay |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242504
(CHEMBL4090017)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cc(Cl)ccn1 |r| Show InChI InChI=1S/C23H20ClFN4O4S/c1-13(16-4-2-3-14-5-7-26-12-17(14)16)29-19-10-18(25)21(11-20(19)33-23(29)30)34(31,32)28-22-9-15(24)6-8-27-22/h2-4,6,8-11,13,26H,5,7,12H2,1H3,(H,27,28)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242506
(CHEMBL4077789)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1cccc(F)n1 |r| Show InChI InChI=1S/C23H20F2N4O4S/c1-13(15-5-2-4-14-8-9-26-12-16(14)15)29-18-10-17(24)20(11-19(18)33-23(29)30)34(31,32)28-22-7-3-6-21(25)27-22/h2-7,10-11,13,26H,8-9,12H2,1H3,(H,27,28)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242507
(CHEMBL4102898)Show SMILES O=c1oc2cc(ccc2n1Cc1cccc2CCNCc12)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C19H17N5O4S2/c25-19-24(10-13-3-1-2-12-6-7-20-9-15(12)13)16-5-4-14(8-17(16)28-19)30(26,27)23-18-21-11-22-29-18/h1-5,8,11,20H,6-7,9-10H2,(H,21,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242502
(CHEMBL4082170)Show SMILES O=c1oc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H12N4O4S2/c21-16-20(9-11-4-2-1-3-5-11)13-7-6-12(8-14(13)24-16)26(22,23)19-15-17-10-18-25-15/h1-8,10H,9H2,(H,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 486 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242505
(CHEMBL4102052)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2cc(F)c(cc2oc1=O)S(=O)(=O)Nc1ccc(F)cn1 |r| Show InChI InChI=1S/C23H20F2N4O4S/c1-13(16-4-2-3-14-7-8-26-12-17(14)16)29-19-9-18(25)21(10-20(19)33-23(29)30)34(31,32)28-22-6-5-15(24)11-27-22/h2-6,9-11,13,26H,7-8,12H2,1H3,(H,27,28)/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242501
(CHEMBL4060266)Show SMILES O=C1COc2cc(ccc2N1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C17H14N4O4S2/c22-16-10-25-15-8-13(27(23,24)20-17-18-11-19-26-17)6-7-14(15)21(16)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,18,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 815 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242511
(CHEMBL4071639)Show SMILES O=c1sc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H12N4O3S3/c21-16-20(9-11-4-2-1-3-5-11)13-7-6-12(8-14(13)24-16)26(22,23)19-15-17-10-18-25-15/h1-8,10H,9H2,(H,17,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Rattus norvegicus) | BDBM50242509
(CHEMBL4068937)Show SMILES C[C@H](c1cccc2CCNCc12)n1c2ccc(cc2oc1=O)S(=O)(=O)Nc1ncns1 |r| Show InChI InChI=1S/C20H19N5O4S2/c1-12(15-4-2-3-13-7-8-21-10-16(13)15)25-17-6-5-14(9-18(17)29-20(25)26)31(27,28)24-19-22-11-23-30-19/h2-6,9,11-12,21H,7-8,10H2,1H3,(H,22,23,24)/t12-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of NaV1.7 channel in rat DRG neurons assessed as reduction of TTX-sensitive sodium current by whole cell patch clamp assay |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50242503
(CHEMBL4098657)Show InChI InChI=1S/C16H13N5O2S2/c22-25(23,20-16-17-11-19-24-16)14-6-7-15-13(8-14)9-18-21(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,17,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50240267
(CHEMBL2325014)Show SMILES Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cscn1 Show InChI InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.7alpha expressed in HEK293 cells measured after 5 to 10 mins post compound washout by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50242511
(CHEMBL4071639)Show SMILES O=c1sc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H12N4O3S3/c21-16-20(9-11-4-2-1-3-5-11)13-7-6-12(8-14(13)24-16)26(22,23)19-15-17-10-18-25-15/h1-8,10H,9H2,(H,17,18,19) | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50242502
(CHEMBL4082170)Show SMILES O=c1oc2cc(ccc2n1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C16H12N4O4S2/c21-16-20(9-11-4-2-1-3-5-11)13-7-6-12(8-14(13)24-16)26(22,23)19-15-17-10-18-25-15/h1-8,10H,9H2,(H,17,18,19) | PDB
KEGG
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50242501
(CHEMBL4060266)Show SMILES O=C1COc2cc(ccc2N1Cc1ccccc1)S(=O)(=O)Nc1ncns1 Show InChI InChI=1S/C17H14N4O4S2/c22-16-10-25-15-8-13(27(23,24)20-17-18-11-19-26-17)6-7-14(15)21(16)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,18,19,20) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description
Inhibition of 50% inactivated human Nav1.5alpha expressed in HEK293 cells incubated for 5 mins measured at 10 secs interval by PatchXpress automated ... |
Bioorg Med Chem Lett 27: 2683-2688 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.040
BindingDB Entry DOI: 10.7270/Q2SN0CD7 |
More data for this
Ligand-Target Pair | |
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