Found 29 hits with Last Name = 'clements' and Initial = 'mk' 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 |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM81801
(CAS_5283121 | LTC4 | NSC_5283121)Show SMILES CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)CCCC(O)=O |w:5.4,8.7,10.9,12.11| Show InChI InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42) | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 3.35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50292408
((R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxy...)Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1 | UniProtKB/SwissProt
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 3.48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50297387
((5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5-hydroxyic...)Show SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,20-,21+/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 693 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM85674
(CAS_103177-37-3 | NSC_115100 | Pranlukast)Show SMILES O=C(Nc1ccc2c(c1)oc(cc2=O)-c1nnn[nH]1)c1ccc(OCCCCc2ccccc2)cc1 Show InChI InChI=1S/C27H23N5O4/c33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32) | UniProtKB/SwissProt
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PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50009073
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35) | UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM50013889
((5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,...)Show SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O |r| Show InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
Leukotriene B4 receptor 2
(Homo sapiens (Human)) | BDBM85673
(CAS_5311297 | Montelukast | NSC_5311297)Show SMILES CC(C)(O)c1ccccc1CCC(S)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |w:19.19| Show InChI InChI=1S/C29H28ClNOS/c1-29(2,32)26-9-4-3-7-21(26)13-17-28(33)23-8-5-6-20(18-23)10-15-25-16-12-22-11-14-24(30)19-27(22)31-25/h3-12,14-16,18-19,28,32-33H,13,17H2,1-2H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by PDSP Ki Database
| |
J Biol Chem 275: 30531-6 (2000)
Article DOI: 10.1074/jbc.M003490200 BindingDB Entry DOI: 10.7270/Q2BP01BH |
More data for this Ligand-Target Pair | |
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
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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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| 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
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 | |
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
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 | |
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 | |