Found 3738 hits with Last Name = 'wyvratt' and Initial = 'm' 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)) | BDBM50325767
(3-(2'-chlorobiphenyl-3-yl)-1H-pyrazole-1-carboxami...)Show InChI InChI=1S/C16H12ClN3O/c17-14-7-2-1-6-13(14)11-4-3-5-12(10-11)15-8-9-20(19-15)16(18)21/h1-10H,(H2,18,21) | PDB
KEGG
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GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325766
(3-(2'-chlorobiphenyl-4-yl)-1H-pyrazole-1-carboxami...)Show InChI InChI=1S/C16H12ClN3O/c17-14-4-2-1-3-13(14)11-5-7-12(8-6-11)15-9-10-20(19-15)16(18)21/h1-10H,(H2,18,21) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.111 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC sid
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| Article
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC sid
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| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Mus musculus) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from mouse BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | Reactome pathway
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50238632
((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1 | KEGG
UniProtKB/TrEMBL
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PC sid
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| PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366737
(CHEMBL1793971)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28-/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325765
(3-(4-(4-chloro-2-fluorophenoxy)phenyl)-1H-pyrazole...)Show InChI InChI=1S/C16H11ClFN3O2/c17-11-3-6-15(13(18)9-11)23-12-4-1-10(2-5-12)14-7-8-21(20-14)16(19)22/h1-9H,(H2,19,22) | PDB
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PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325764
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23) | PDB
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PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human Nav 1.7 channel by electrophysiology |
Bioorg Med Chem Lett 20: 5480-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.080
BindingDB Entry DOI: 10.7270/Q2PV6KJX |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366726
(CHEMBL1793982)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1N1CCCCC1 Show InChI InChI=1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25-,30-,31+,32-,33+/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325819
((Z)-5-((2'-(trifluoromethoxy)biphenyl-3-yl)methyle...)Show SMILES OC1=NC(=O)C(S1)=Cc1cccc(c1)-c1ccccc1OC(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C17H10F3NO3S/c18-17(19,20)24-13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-14-15(22)21-16(23)25-14/h1-9H,(H,21,22,23) | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human Nav1.7 |
Bioorg Med Chem Lett 20: 5536-40 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366733
(CHEMBL1793973)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(OC)c2ccccc2c1=O Show InChI InChI=1S/C34H47N5O7/c1-5-21(3)28-34(45)38-19-13-12-18-27(38)32(43)35-25(16-9-7-8-14-22(40)6-2)31(42)37-29(33(44)36-28)24-20-39(46-4)26-17-11-10-15-23(26)30(24)41/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,35,43)(H,36,44)(H,37,42)/t21-,25-,27+,28-,29-/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164039
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(bip...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C33H33N3O4S/c34-41(39,40)31-12-5-4-9-28(31)27-19-15-24(16-20-27)22-36-33(38)30-11-6-10-29(30)32(37)35-21-23-13-17-26(18-14-23)25-7-2-1-3-8-25/h1-5,7-9,12-20,29-30H,6,10-11,21-22H2,(H,35,37)(H,36,38)(H2,34,39,40)/t29-,30-/m0/s1 | PDB
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| Article
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50216671
(CHEMBL247828 | tert-butyl (R)-1-((R)-1-isopropyl-2...)Show SMILES CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C28H34F3N3O5/c1-17(2)34-22-12-8-6-10-18(22)14-15-20(25(34)36)32-24(35)21(33-26(37)39-27(3,4)5)16-19-11-7-9-13-23(19)38-28(29,30)31/h6-13,17,20-21H,14-16H2,1-5H3,(H,32,35)(H,33,37)/t20-,21-/m1/s1 | PDB
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at human inactive state Nav1.7 by whole cell electrophysiology |
Bioorg Med Chem Lett 17: 4630-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.05.076
BindingDB Entry DOI: 10.7270/Q2HX1CCF |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366749
(CHEMBL1793983)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1Cl Show InChI InChI=1S/C33H44ClN5O5/c1-4-20(3)28-33(44)39-18-12-11-17-26(39)31(42)36-25(16-8-6-7-13-21(40)5-2)30(41)38-29(32(43)37-28)23-19-35-24-15-10-9-14-22(24)27(23)34/h9-10,14-15,19-20,25-26,28-29H,4-8,11-13,16-18H2,1-3H3,(H,36,42)(H,37,43)(H,38,41)/t20-,25-,26+,28-,29+/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164048
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)Show SMILES CC(NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(s1)-c1cccs1)c1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C30H31N3O4S3/c1-19(20-11-13-21(14-12-20)23-6-2-3-10-28(23)40(31,36)37)33-30(35)25-8-4-7-24(25)29(34)32-18-22-15-16-27(39-22)26-9-5-17-38-26/h2-3,5-6,9-17,19,24-25H,4,7-8,18H2,1H3,(H,32,34)(H,33,35)(H2,31,36,37)/t19?,24-,25-/m0/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164043
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[([2,...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C29H29N3O4S3/c30-39(35,36)27-9-2-1-5-22(27)20-12-10-19(11-13-20)17-31-28(33)23-6-3-7-24(23)29(34)32-18-21-14-15-26(38-21)25-8-4-16-37-25/h1-2,4-5,8-16,23-24H,3,6-7,17-18H2,(H,31,33)(H,32,34)(H2,30,35,36)/t23-,24-/m0/s1 | PDB
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| Article
PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366736
(CHEMBL1793972)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cn(CC)c2ccccc2c1=O Show InChI InChI=1S/C35H49N5O6/c1-5-22(4)29-35(46)40-20-14-13-19-28(40)33(44)36-26(17-10-8-9-15-23(41)6-2)32(43)38-30(34(45)37-29)25-21-39(7-3)27-18-12-11-16-24(27)31(25)42/h11-12,16,18,21-22,26,28-30H,5-10,13-15,17,19-20H2,1-4H3,(H,36,44)(H,37,45)(H,38,43)/t22-,26-,28+,29-,30-/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366727
(CHEMBL1793981)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C30H50N4O6/c1-7-19(3)25-29(40)34-17-13-12-16-23(34)28(39)31-21(15-11-9-10-14-20(35)8-2)26(37)32-22(27(38)33-25)18-24(36)30(4,5)6/h19,21-23,25H,7-18H2,1-6H3,(H,31,39)(H,32,37)(H,33,38)/t19-,21-,22-,23+,25-/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164070
((1S,2S)-2-[(2''-Trifluoromethyl-biphenyl-4-ylmethy...)Show SMILES FC(F)(F)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C29H27F3N2OS2/c30-29(31,32)24-7-2-1-5-22(24)20-12-10-19(11-13-20)17-33-25-8-3-6-23(25)28(35)34-18-21-14-15-27(37-21)26-9-4-16-36-26/h1-2,4-5,7,9-16,23,25,33H,3,6,8,17-18H2,(H,34,35)/t23-,25-/m0/s1 | PDB
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| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164042
((1S,2S)-2-[(2''-Methyl-biphenyl-4-ylmethyl)-amino]...)Show SMILES Cc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C29H30N2OS2/c1-20-6-2-3-7-24(20)22-13-11-21(12-14-22)18-30-26-9-4-8-25(26)29(32)31-19-23-15-16-28(34-23)27-10-5-17-33-27/h2-3,5-7,10-17,25-26,30H,4,8-9,18-19H2,1H3,(H,31,32)/t25-,26-/m0/s1 | PDB
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| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164058
(CHEMBL360307 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)c2ccccc2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C30H25N3O4S3/c31-40(36,37)28-10-4-3-6-23(28)21-13-11-20(12-14-21)18-32-29(34)24-7-1-2-8-25(24)30(35)33-19-22-15-16-27(39-22)26-9-5-17-38-26/h1-17H,18-19H2,(H,32,34)(H,33,35)(H2,31,36,37) | PDB
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| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164067
((1S,2S)-2-[(2''-Methanesulfonyl-biphenyl-4-ylmethy...)Show SMILES CS(=O)(=O)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C29H30N2O3S3/c1-37(33,34)28-10-3-2-6-23(28)21-13-11-20(12-14-21)18-30-25-8-4-7-24(25)29(32)31-19-22-15-16-27(36-22)26-9-5-17-35-26/h2-3,5-6,9-17,24-25,30H,4,7-8,18-19H2,1H3,(H,31,32)/t24-,25-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164047
(CHEMBL361097 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33) | PDB
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PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164047
(CHEMBL361097 | N-[2,2'']Bithiophenyl-5-ylmethyl-N'...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)CCC(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C26H25N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-12,15H,13-14,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33) | PDB
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PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164051
((1S,2S)-2-[(2''-Methoxy-biphenyl-4-ylmethyl)-amino...)Show SMILES COc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C29H30N2O2S2/c1-33-26-9-3-2-6-23(26)21-13-11-20(12-14-21)18-30-25-8-4-7-24(25)29(32)31-19-22-15-16-28(35-22)27-10-5-17-34-27/h2-3,5-6,9-17,24-25,30H,4,7-8,18-19H2,1H3,(H,31,32)/t24-,25-/m0/s1 | PDB
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| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366729
(CHEMBL1793969)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C32H46N4O6/c1-4-21(3)27-32(42)36-19-13-12-18-25(36)30(40)33-24(17-11-7-10-16-23(37)5-2)29(39)35-28(31(41)34-27)26(38)20-22-14-8-6-9-15-22/h6,8-9,14-15,21,24-25,27-28H,4-5,7,10-13,16-20H2,1-3H3,(H,33,40)(H,34,41)(H,35,39)/t21-,24-,25+,27-,28+/m0/s1 | KEGG
UniProtKB/TrEMBL
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164040
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)41(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)40-29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325764
(4-(2'-(trifluoromethoxy)biphenyl-3-yl)thiazole-2-c...)Show SMILES NC(=O)c1nc(cs1)-c1cccc(c1)-c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H11F3N2O2S/c18-17(19,20)24-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-25-16(22-13)15(21)23/h1-9H,(H2,21,23) | PDB
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| Article
PubMed
| 230 | n/a | n/a | 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 by VIPR assay |
Bioorg Med Chem Lett 20: 7479-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178865
(CHEMBL203440 | trans-N-benzyl-2-(1-hydroxy-3-(3-(t...)Show SMILES OC(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H26F3NO3/c24-23(25,26)30-18-9-4-8-16(14-18)12-13-21(28)19-10-5-11-20(19)22(29)27-15-17-6-2-1-3-7-17/h1-4,6-9,14,19-21,28H,5,10-13,15H2,(H,27,29)/t19-,20-,21?/m1/s1 | PDB
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| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366752
(CHEMBL1793970)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O)c1cnc2ccccc2c1O Show InChI InChI=1S/C33H45N5O6/c1-4-20(3)27-33(44)38-18-12-11-17-26(38)31(42)35-25(16-8-6-7-13-21(39)5-2)30(41)37-28(32(43)36-27)23-19-34-24-15-10-9-14-22(24)29(23)40/h9-10,14-15,19-20,25-28H,4-8,11-13,16-18H2,1-3H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t20-,25-,26+,27-,28+/m0/s1 | KEGG
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164062
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H30F3N3O4S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)40(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1 | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178861
((1R,2R)-N1-methyl-N1-((2'-sulfamoylbiphenyl-4-yl)m...)Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-20-9-13-21(14-10-20)23-5-2-3-8-26(23)41(33,38)39)28(37)25-7-4-6-24(25)27(36)34-17-19-11-15-22(16-12-19)40-29(30,31)32/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m1/s1 | PDB
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178859
(CHEMBL205258 | trans-N-benzyl-2-(1-hydroxy-3-(2-(t...)Show SMILES OC(CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H26F3NO3/c24-23(25,26)30-21-12-5-4-9-17(21)13-14-20(28)18-10-6-11-19(18)22(29)27-15-16-7-2-1-3-8-16/h1-5,7-9,12,18-20,28H,6,10-11,13-15H2,(H,27,29)/t18-,19-,20?/m1/s1 | PDB
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PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178867
(CHEMBL206431 | N-((trans-2-(1-hydroxy-3-phenylprop...)Show SMILES OC(CCc1ccccc1)[C@@H]1CCC[C@H]1CNC(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C23H26F3NO3/c24-23(25,26)30-19-12-10-17(11-13-19)22(29)27-15-18-7-4-8-20(18)21(28)14-9-16-5-2-1-3-6-16/h1-3,5-6,10-13,18,20-21,28H,4,7-9,14-15H2,(H,27,29)/t18-,20+,21?/m0/s1 | PDB
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PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164057
((1S,2S)-2-[Methyl-(2''-trifluoromethyl-biphenyl-4-...)Show SMILES CN(Cc1ccc(cc1)-c1ccccc1C(F)(F)F)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(s1)-c1cccs1 Show InChI InChI=1S/C31H31F3N2OS2/c1-35(19-21-12-14-22(15-13-21)24-7-3-4-9-26(24)31(32,33)34)27-10-5-8-25(27)30(37)36(2)20-23-16-17-29(39-23)28-11-6-18-38-28/h3-4,6-7,9,11-18,25,27H,5,8,10,19-20H2,1-2H3/t25-,27-/m0/s1 | PDB
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PubMed
| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50325762
(1-(2',4'-bis(trifluoromethyl)biphenyl-3-yl)-5-meth...)Show SMILES Cc1cc(nn1-c1cccc(c1)-c1ccc(cc1C(F)(F)F)C(F)(F)F)C(N)=O Show InChI InChI=1S/C19H13F6N3O/c1-10-7-16(17(26)29)27-28(10)13-4-2-3-11(8-13)14-6-5-12(18(20,21)22)9-15(14)19(23,24)25/h2-9H,1H3,(H2,26,29) | PDB
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PubMed
| 340 | n/a | n/a | 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 by VIPR assay |
Bioorg Med Chem Lett 20: 7479-82 (2010)
Article DOI: 10.1016/j.bmcl.2010.10.017
BindingDB Entry DOI: 10.7270/Q2MW2HDH |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164068
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 Show InChI InChI=1S/C28H28F3N3O5S/c29-28(30,31)39-21-14-10-19(11-15-21)17-34-27(36)24-6-3-5-23(24)26(35)33-16-18-8-12-20(13-9-18)22-4-1-2-7-25(22)40(32,37)38/h1-2,4,7-15,23-24H,3,5-6,16-17H2,(H,33,35)(H,34,36)(H2,32,37,38)/t23-,24-/m0/s1 | PDB
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PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50141073
((E)-2-(4-(4-fluorophenoxy)benzylidene)hydrazinecar...)Show InChI InChI=1S/C14H12FN3O2/c15-11-3-7-13(8-4-11)20-12-5-1-10(2-6-12)9-17-18-14(16)19/h1-9H,(H3,16,18,19) | PDB
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| Article
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human Nav1.7 |
Bioorg Med Chem Lett 20: 5536-40 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.064
BindingDB Entry DOI: 10.7270/Q2FB535G |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178863
(CHEMBL203185 | trans-N-benzyl-2-((S)-1-hydroxy-3-(...)Show SMILES OC(CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H26F3NO3/c24-23(25,26)30-18-12-9-16(10-13-18)11-14-21(28)19-7-4-8-20(19)22(29)27-15-17-5-2-1-3-6-17/h1-3,5-6,9-10,12-13,19-21,28H,4,7-8,11,14-15H2,(H,27,29)/t19-,20-,21?/m1/s1 | PDB
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| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164045
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)Show SMILES Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C34H35N3O4S/c1-23-7-2-3-8-28(23)26-17-13-24(14-18-26)21-36-33(38)30-10-6-11-31(30)34(39)37-22-25-15-19-27(20-16-25)29-9-4-5-12-32(29)42(35,40)41/h2-5,7-9,12-20,30-31H,6,10-11,21-22H2,1H3,(H,36,38)(H,37,39)(H2,35,40,41)/t30-,31-/m0/s1 | PDB
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| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Histone deacetylase
(Cryptosporidium parvum) | BDBM50366728
(CHEMBL1793978)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O Show InChI InChI=1S/C33H48N4O6/c1-4-22(3)29-33(43)37-19-13-12-18-28(37)32(42)34-26(17-11-7-10-16-24(38)5-2)30(40)35-27(31(41)36-29)21-25(39)20-23-14-8-6-9-15-23/h6,8-9,14-15,22,26-29H,4-5,7,10-13,16-21H2,1-3H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-,28+,29-/m0/s1 | KEGG
UniProtKB/TrEMBL
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UniChem
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| PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa |
Bioorg Med Chem Lett 11: 113-7 (2001)
BindingDB Entry DOI: 10.7270/Q2M045ZB |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164049
((Z)-But-2-enedioic acid ([2,2'']bithiophenyl-5-ylm...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)\C=C/C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C26H23N3O4S3/c27-36(32,33)24-6-2-1-4-21(24)19-9-7-18(8-10-19)16-28-25(30)13-14-26(31)29-17-20-11-12-23(35-20)22-5-3-15-34-22/h1-15H,16-17H2,(H,28,30)(H,29,31)(H2,27,32,33)/b14-13- | PDB
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PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178854
(CHEMBL202745 | trans-N-(2-(trifluoromethyl)benzyl)...)Show SMILES OC(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[C@H]1C(=O)NCc1ccccc1C(F)(F)F Show InChI InChI=1S/C24H25F6NO3/c25-23(26,27)20-10-2-1-6-16(20)14-31-22(33)19-9-4-8-18(19)21(32)12-11-15-5-3-7-17(13-15)34-24(28,29)30/h1-3,5-7,10,13,18-19,21,32H,4,8-9,11-12,14H2,(H,31,33)/t18-,19-,21?/m1/s1 | PDB
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PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178853
(CHEMBL206615 | trans-N-(3,5-dichlorobenzyl)-2-(1-h...)Show SMILES OC(CCc1cccc(OC(F)(F)F)c1)[C@@H]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C23H24Cl2F3NO3/c24-16-9-15(10-17(25)12-16)13-29-22(31)20-6-2-5-19(20)21(30)8-7-14-3-1-4-18(11-14)32-23(26,27)28/h1,3-4,9-12,19-21,30H,2,5-8,13H2,(H,29,31)/t19-,20-,21?/m1/s1 | PDB
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| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164041
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[(2''...)Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C34H32F3N3O4S/c35-34(36,37)30-10-3-1-6-26(30)24-16-12-22(13-17-24)20-39-32(41)28-8-5-9-29(28)33(42)40-21-23-14-18-25(19-15-23)27-7-2-4-11-31(27)45(38,43)44/h1-4,6-7,10-19,28-29H,5,8-9,20-21H2,(H,39,41)(H,40,42)(H2,38,43,44)/t28-,29-/m0/s1 | PDB
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| 510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50164050
((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-[meth...)Show SMILES CN(Cc1ccc(cc1)-c1ccccc1S(N)(=O)=O)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C29H30F3N3O5S/c1-35(18-19-12-14-21(15-13-19)23-8-2-3-11-26(23)41(33,38)39)28(37)25-10-5-9-24(25)27(36)34-17-20-6-4-7-22(16-20)40-29(30,31)32/h2-4,6-8,11-16,24-25H,5,9-10,17-18H2,1H3,(H,34,36)(H2,33,38,39)/t24-,25-/m0/s1 | PDB
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP) |
Bioorg Med Chem Lett 15: 1901-7 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.002
BindingDB Entry DOI: 10.7270/Q2HH6JMD |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50178864
(CHEMBL204399 | N-((trans-2-(1-hydroxy-3-phenylprop...)Show SMILES OC(CCc1ccccc1)[C@@H]1CCC[C@H]1CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C22H26F3NO4S/c23-22(24,25)30-18-10-12-19(13-11-18)31(28,29)26-15-17-7-4-8-20(17)21(27)14-9-16-5-2-1-3-6-16/h1-3,5-6,10-13,17,20-21,26-27H,4,7-9,14-15H2/t17-,20+,21?/m0/s1 | PDB
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of peripheral nerve sodium channel NaV1.7 |
Bioorg Med Chem Lett 16: 1358-61 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.051
BindingDB Entry DOI: 10.7270/Q2FX791S |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50021345
(CHEMBL3287928)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nn(cc1Sc1ccc(Cl)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H16ClFN2O2S2/c1-30(27,28)20-12-2-15(3-13-20)22-21(29-19-10-4-16(23)5-11-19)14-26(25-22)18-8-6-17(24)7-9-18/h2-14H,1H3 | PDB
MMDB
Reactome pathway
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| 637 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [35S]MK-499 from human ERG |
ACS Med Chem Lett 5: 717-21 (2014)
Article DOI: 10.1021/ml5001239
BindingDB Entry DOI: 10.7270/Q2JQ12KN |
More data for this
Ligand-Target Pair | |
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