Found 26 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)) | BDBM50301711
((1R,2R)-2-(5-(3-methoxyphenyl)isoxazol-3-yl)-N-(1-...)Show SMILES COc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c1-30-20-11-5-8-18(16-20)24-17-23(28-31-24)21-12-6-13-22(21)25(29)27-26(14-7-15-26)19-9-3-2-4-10-19/h2-5,8-11,16-17,21-22H,6-7,12-15H2,1H3,(H,27,29)/t21-,22-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301729
((1R,2R)-N-(1-(4-fluorophenyl)cyclobutyl)-2-(5-phen...)Show SMILES Fc1ccc(cc1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C25H25FN2O2/c26-19-12-10-18(11-13-19)25(14-5-15-25)27-24(29)21-9-4-8-20(21)22-16-23(30-28-22)17-6-2-1-3-7-17/h1-3,6-7,10-13,16,20-21H,4-5,8-9,14-15H2,(H,27,29)/t20-,21-/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 | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301728
((1R,2R)-N-(1-(3-fluorophenyl)cyclobutyl)-2-(5-phen...)Show SMILES Fc1cccc(c1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C25H25FN2O2/c26-19-10-4-9-18(15-19)25(13-6-14-25)27-24(29)21-12-5-11-20(21)22-16-23(30-28-22)17-7-2-1-3-8-17/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,27,29)/t20-,21-/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 | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301723
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenylisoxazol...)Show SMILES O=C(NC1(CCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O2/c28-24(26-25(15-8-16-25)19-11-5-2-6-12-19)21-14-7-13-20(21)22-17-23(29-27-22)18-9-3-1-4-10-18/h1-6,9-12,17,20-21H,7-8,13-16H2,(H,26,28)/t20-,21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301714
((1R,2R)-2-(5-(4-hydroxyphenyl)isoxazol-3-yl)-N-(1-...)Show SMILES Oc1ccc(cc1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O3/c28-19-12-10-17(11-13-19)23-16-22(27-30-23)20-8-4-9-21(20)24(29)26-25(14-5-15-25)18-6-2-1-3-7-18/h1-3,6-7,10-13,16,20-21,28H,4-5,8-9,14-15H2,(H,26,29)/t20-,21-/m1/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301732
((1R,2R)-N-(3-fluoro-1-phenylcyclobutyl)-2-(5-pheny...)Show SMILES FC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1 |r,wU:12.14,wD:8.8,(20.43,-12.76,;20.54,-11.08,;19.46,-9.99,;20.56,-8.9,;21.65,-10,;21.34,-7.57,;22.88,-7.57,;23.57,-8.94,;23.79,-6.33,;23.32,-4.86,;24.56,-3.94,;25.81,-4.86,;25.33,-6.33,;26.24,-7.57,;27.78,-7.57,;28.26,-9.04,;27,-9.95,;25.75,-9.04,;29.79,-9.08,;30.52,-10.44,;32.06,-10.48,;32.86,-9.17,;32.13,-7.82,;30.59,-7.78,;19.03,-8.9,;18.26,-7.57,;16.72,-7.57,;15.95,-8.9,;16.73,-10.24,;18.26,-10.23,)| Show InChI InChI=1S/C25H25FN2O2/c26-19-15-25(16-19,18-10-5-2-6-11-18)27-24(29)21-13-7-12-20(21)22-14-23(30-28-22)17-8-3-1-4-9-17/h1-6,8-11,14,19-21H,7,12-13,15-16H2,(H,27,29)/t19?,20-,21-,25?/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301712
((1R,2R)-2-(5-(4-methoxyphenyl)isoxazol-3-yl)-N-(1-...)Show SMILES COc1ccc(cc1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c1-30-20-13-11-18(12-14-20)24-17-23(28-31-24)21-9-5-10-22(21)25(29)27-26(15-6-16-26)19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21-22H,5-6,9-10,15-16H2,1H3,(H,27,29)/t21-,22-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301733
((1R,2R)-2-(5-(2-chlorophenyl)isoxazol-3-yl)-N-(1-p...)Show SMILES Clc1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H25ClN2O2/c26-21-13-5-4-10-20(21)23-16-22(28-30-23)18-11-6-12-19(18)24(29)27-25(14-7-15-25)17-8-2-1-3-9-17/h1-5,8-10,13,16,18-19H,6-7,11-12,14-15H2,(H,27,29)/t18-,19-/m1/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301718
((1R,2R)-2-(5-(6-methoxypyridin-2-yl)isoxazol-3-yl)...)Show SMILES COc1cccc(n1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H27N3O3/c1-30-23-13-6-12-20(26-23)22-16-21(28-31-22)18-10-5-11-19(18)24(29)27-25(14-7-15-25)17-8-3-2-4-9-17/h2-4,6,8-9,12-13,16,18-19H,5,7,10-11,14-15H2,1H3,(H,27,29)/t18-,19-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301713
((1R,2R)-2-(5-(3-hydroxyphenyl)isoxazol-3-yl)-N-(1-...)Show SMILES Oc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H26N2O3/c28-19-10-4-7-17(15-19)23-16-22(27-30-23)20-11-5-12-21(20)24(29)26-25(13-6-14-25)18-8-2-1-3-9-18/h1-4,7-10,15-16,20-21,28H,5-6,11-14H2,(H,26,29)/t20-,21-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
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PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301724
((1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenylisoxazo...)Show SMILES O=C(NC1(CCCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C26H28N2O2/c29-25(27-26(16-7-8-17-26)20-12-5-2-6-13-20)22-15-9-14-21(22)23-18-24(30-28-23)19-10-3-1-4-11-19/h1-6,10-13,18,21-22H,7-9,14-17H2,(H,27,29)/t21-,22-/m1/s1 | PDB
KEGG
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| CHEMBL
PC cid
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Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301719
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(6-(trifluorom...)Show SMILES FC(F)(F)c1cccc(n1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C25H24F3N3O2/c26-25(27,28)22-12-5-11-19(29-22)21-15-20(31-33-21)17-9-4-10-18(17)23(32)30-24(13-6-14-24)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18H,4,6,9-10,13-14H2,(H,30,32)/t17-,18-/m1/s1 | PDB
KEGG
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antibodypedia
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| CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301715
((1R,2R)-2-(5-(2-hydroxy-3-(trifluoromethoxy)phenyl...)Show SMILES Oc1c(OC(F)(F)F)cccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H25F3N2O4/c27-26(28,29)34-21-12-5-11-19(23(21)32)22-15-20(31-35-22)17-9-4-10-18(17)24(33)30-25(13-6-14-25)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18,32H,4,6,9-10,13-14H2,(H,30,33)/t17-,18-/m1/s1 | PDB
KEGG
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PC cid
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PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301717
((1R,2R)-2-(5-(2-hydroxy-4-(trifluoromethyl)phenyl)...)Show SMILES Oc1cc(ccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1)C(F)(F)F |r| Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)17-10-11-20(22(32)14-17)23-15-21(31-34-23)18-8-4-9-19(18)24(33)30-25(12-5-13-25)16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,18-19,32H,4-5,8-9,12-13H2,(H,30,33)/t18-,19-/m1/s1 | PDB
KEGG
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B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301709
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(3-(trifluorom...)Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)33-19-10-4-7-17(15-19)23-16-22(31-34-23)20-11-5-12-21(20)24(32)30-25(13-6-14-25)18-8-2-1-3-9-18/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,30,32)/t20-,21-/m1/s1 | PDB
KEGG
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301731
((1R,2R)-N-(3-methoxy-1-phenylcyclobutyl)-2-(5-phen...)Show SMILES COC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1 |r,wU:13.15,wD:9.9,(-3.39,-12.23,;-4.65,-11.14,;-4.71,-9.81,;-5.79,-8.72,;-4.7,-7.63,;-3.61,-8.73,;-3.92,-6.3,;-2.38,-6.3,;-1.69,-7.67,;-1.47,-5.06,;-1.94,-3.59,;-.7,-2.67,;.56,-3.59,;.08,-5.06,;.98,-6.3,;2.52,-6.3,;3,-7.77,;1.75,-8.68,;.5,-7.77,;4.54,-7.81,;5.27,-9.17,;6.8,-9.21,;7.61,-7.9,;6.87,-6.55,;5.34,-6.51,;-6.23,-7.63,;-7,-6.3,;-8.54,-6.3,;-9.31,-7.63,;-8.53,-8.97,;-7,-8.96,)| Show InChI InChI=1S/C26H28N2O3/c1-30-20-16-26(17-20,19-11-6-3-7-12-19)27-25(29)22-14-8-13-21(22)23-15-24(31-28-23)18-9-4-2-5-10-18/h2-7,9-12,15,20-22H,8,13-14,16-17H2,1H3,(H,27,29)/t20?,21-,22-,26?/m1/s1 | PDB
KEGG
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| Article
PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301710
((1R,2R)-2-(5-(2-methoxyphenyl)isoxazol-3-yl)-N-(1-...)Show SMILES COc1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N2O3/c1-30-23-14-6-5-11-21(23)24-17-22(28-31-24)19-12-7-13-20(19)25(29)27-26(15-8-16-26)18-9-3-2-4-10-18/h2-6,9-11,14,17,19-20H,7-8,12-13,15-16H2,1H3,(H,27,29)/t19-,20-/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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301721
((1R,2R)-2-(5-phenylisoxazol-3-yl)-N-(2-phenylpropa...)Show SMILES CC(C)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H26N2O2/c1-24(2,18-12-7-4-8-13-18)25-23(27)20-15-9-14-19(20)21-16-22(28-26-21)17-10-5-3-6-11-17/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3,(H,25,27)/t19-,20-/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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301722
((1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenylisoxazo...)Show SMILES O=C(NC1(CC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C24H24N2O2/c27-23(25-24(14-15-24)18-10-5-2-6-11-18)20-13-7-12-19(20)21-16-22(28-26-21)17-8-3-1-4-9-17/h1-6,8-11,16,19-20H,7,12-15H2,(H,25,27)/t19-,20-/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 | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301727
((1R,2R)-N-(1-(2-fluorophenyl)cyclobutyl)-2-(5-phen...)Show SMILES Fc1ccccc1C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C25H25FN2O2/c26-21-13-5-4-12-20(21)25(14-7-15-25)27-24(29)19-11-6-10-18(19)22-16-23(30-28-22)17-8-2-1-3-9-17/h1-5,8-9,12-13,16,18-19H,6-7,10-11,14-15H2,(H,27,29)/t18-,19-/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 | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301725
((1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenylisoxazol...)Show SMILES O=C(NC1(CCCCC1)c1ccccc1)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C27H30N2O2/c30-26(28-27(17-8-3-9-18-27)21-13-6-2-7-14-21)23-16-10-15-22(23)24-19-25(31-29-24)20-11-4-1-5-12-20/h1-2,4-7,11-14,19,22-23H,3,8-10,15-18H2,(H,28,30)/t22-,23-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301726
((1R,2R)-2-(5-phenylisoxazol-3-yl)-N-(1-(3-(trifluo...)Show SMILES FC(F)(F)c1cccc(c1)C1(CCC1)NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)19-10-4-9-18(15-19)25(13-6-14-25)30-24(32)21-12-5-11-20(21)22-16-23(33-31-22)17-7-2-1-3-8-17/h1-4,7-10,15-16,20-21H,5-6,11-14H2,(H,30,32)/t20-,21-/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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301734
((1R,2R)-N-(1-phenylcyclobutyl)-2-(5-(2-(trifluorom...)Show SMILES FC(F)(F)c1ccccc1-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H25F3N2O2/c27-26(28,29)21-13-5-4-10-20(21)23-16-22(31-33-23)18-11-6-12-19(18)24(32)30-25(14-7-15-25)17-8-2-1-3-9-17/h1-5,8-10,13,16,18-19H,6-7,11-12,14-15H2,(H,30,32)/t18-,19-/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 | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301720
((1R,2R)-N-(1-phenylethyl)-2-(5-phenylisoxazol-3-yl...)Show SMILES CC(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H24N2O2/c1-16(17-9-4-2-5-10-17)24-23(26)20-14-8-13-19(20)21-15-22(27-25-21)18-11-6-3-7-12-18/h2-7,9-12,15-16,19-20H,8,13-14H2,1H3,(H,24,26)/t16?,19-,20-/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 | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301730
((1R,2R)-N-(3-hydroxy-1-phenylcyclobutyl)-2-(5-phen...)Show SMILES OC1CC(C1)(NC(=O)[C@@H]1CCC[C@H]1c1cc(on1)-c1ccccc1)c1ccccc1 |r,wU:12.14,wD:8.8,(19.04,-1.41,;19.04,-.09,;17.96,1.01,;19.06,2.09,;20.14,1,;19.83,3.43,;21.38,3.43,;22.07,2.05,;22.29,4.67,;21.82,6.14,;23.06,7.05,;24.31,6.14,;23.83,4.67,;24.74,3.42,;26.28,3.43,;26.76,1.96,;25.51,1.04,;24.26,1.96,;28.3,1.91,;29.02,.56,;30.56,.51,;31.37,1.82,;30.63,3.18,;29.1,3.22,;17.53,2.09,;16.76,3.42,;15.22,3.43,;14.45,2.09,;15.22,.76,;16.76,.76,)| Show InChI InChI=1S/C25H26N2O3/c28-19-15-25(16-19,18-10-5-2-6-11-18)26-24(29)21-13-7-12-20(21)22-14-23(30-27-22)17-8-3-1-4-9-17/h1-6,8-11,14,19-21,28H,7,12-13,15-16H2,(H,26,29)/t19?,20-,21-,25?/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 | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50301716
((1R,2R)-2-(5-(2-hydroxy-3-(trifluoromethyl)phenyl)...)Show SMILES Oc1c(cccc1C(F)(F)F)-c1cc(no1)[C@@H]1CCC[C@H]1C(=O)NC1(CCC1)c1ccccc1 |r| Show InChI InChI=1S/C26H25F3N2O3/c27-26(28,29)20-12-5-11-19(23(20)32)22-15-21(31-34-22)17-9-4-10-18(17)24(33)30-25(13-6-14-25)16-7-2-1-3-8-16/h1-3,5,7-8,11-12,15,17-18,32H,4,6,9-10,13-14H2,(H,30,33)/t17-,18-/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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav1.7 channel expressed in HEK293 cells by FRET assay |
Bioorg Med Chem Lett 19: 5334-8 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.135
BindingDB Entry DOI: 10.7270/Q2QF8SZQ |
More data for this
Ligand-Target Pair | |
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