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Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'lallemand' and Initial = 'bi'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.339 -54.1n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22542
PNG
(4-(1H-imidazol-4-ylmethyl)piperidine | 4-(1H-imida...)
Show SMILES C(C1CCNCC1)c1cnc[nH]1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.407 -53.6n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22548
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...)
Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)
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1 -51.4n/an/a 2n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22538
PNG
(4-Benzyl-1H-imidazole derivative, 19 | 4-{[3-(2-ph...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C18H14N2/c1-2-5-15(6-3-1)9-10-16-7-4-8-17(11-16)12-18-13-19-14-20-18/h1-8,11,13-14H,12H2,(H,19,20)
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2 -49.7n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22540
PNG
(4-Benzyl-1H-imidazole derivative, 21 | 4-{[3-(pent...)
Show SMILES CCCC#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C15H16N2/c1-2-3-4-6-13-7-5-8-14(9-13)10-15-11-16-12-17-15/h5,7-9,11-12H,2-3,10H2,1H3,(H,16,17)
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3 -48.6n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22537
PNG
(4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...)
Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)
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4 -47.9n/an/a 8n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22529
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...)
Show SMILES CC1(C)COC(=N1)c1cccc(Cc2cnc[nH]2)c1 |c:5|
Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-4-11(6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
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4 -47.9n/an/a 16n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22537
PNG
(4-Benzyl-1H-imidazole derivative, 18 | 4-{[3-(3,3-...)
Show SMILES CC(C)(C)C#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H18N2/c1-16(2,3)8-7-13-5-4-6-14(9-13)10-15-11-17-12-18-15/h4-6,9,11-12H,10H2,1-3H3,(H,17,18)
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6 -46.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
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6 -46.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22548
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimeth...)
Show SMILES CC1CC(C)(C)N=C(O1)c1cccc(Cc2cnc[nH]2)c1 |c:6|
Show InChI InChI=1S/C17H21N3O/c1-12-9-17(2,3)20-16(21-12)14-6-4-5-13(7-14)8-15-10-18-11-19-15/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)
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8 -46.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
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32 -42.8n/an/a 79n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22533
PNG
(4-Benzyl-1H-imidazole derivative, 14 | 4-[(3-pheny...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C16H14N2/c1-2-6-14(7-3-1)15-8-4-5-13(9-15)10-16-11-17-12-18-16/h1-9,11-12H,10H2,(H,17,18)
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33 -42.7n/an/a 200n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22549
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azasp...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NC2(CCCC2)CO1 |t:14|
Show InChI InChI=1S/C17H19N3O/c1-2-7-17(6-1)11-21-16(20-17)14-5-3-4-13(8-14)9-15-10-18-12-19-15/h3-5,8,10,12H,1-2,6-7,9,11H2,(H,18,19)
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40 -42.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22534
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]pyridine | 4-B...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)
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41 -42.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22550
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azasp...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C1=NCC2(CCCCC2)O1 |t:14|
Show InChI InChI=1S/C18H21N3O/c1-2-7-18(8-3-1)12-20-17(22-18)15-6-4-5-14(9-15)10-16-11-19-13-21-16/h4-6,9,11,13H,1-3,7-8,10,12H2,(H,19,21)
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56 -41.4n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22552
PNG
((4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]...)
Show SMILES C([C@@H]1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)c1ccccc1 |r,c:4|
Show InChI InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1
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89 -40.2n/an/a 79n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22531
PNG
(3-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...)
Show SMILES N#Cc1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-2-9(4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)
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155 -38.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22532
PNG
(4-Benzyl-1H-imidazole derivative, 13 | 4-benzyl-1H...)
Show SMILES C(c1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C10H10N2/c1-2-4-9(5-3-1)6-10-7-11-8-12-10/h1-5,7-8H,6H2,(H,11,12)
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162 -38.8n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22547
PNG
(4-(1H-imidazol-4-ylmethyl)aniline | 4-Benzyl-1H-im...)
Show SMILES Nc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C10H11N3/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13)
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257 -37.6n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22545
PNG
(4-Benzyl-1H-imidazole derivative, 23 | 4-[(4-bromo...)
Show SMILES Brc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C10H9BrN2/c11-9-3-1-8(2-4-9)5-10-6-12-7-13-10/h1-4,6-7H,5H2,(H,12,13)
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417 -36.4n/an/a 631n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22535
PNG
(4-Benzyl-1H-imidazole derivative, 16 | 4-[3-(1H-im...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)-c1ccncc1
Show InChI InChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18)
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427 -36.4n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22546
PNG
(4-Benzyl-1H-imidazole derivative, 24 | 4-{[4-(3,3-...)
Show SMILES CC(C)(C)C#Cc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2/c1-16(2,3)9-8-13-4-6-14(7-5-13)10-15-11-17-12-18-15/h4-7,11-12H,10H2,1-3H3,(H,17,18)
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537 -35.8n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22551
PNG
(4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)...)
Show SMILES C(C1COC(=N1)c1cccc(Cc2cnc[nH]2)c1)C1CCCCC1 |c:4|
Show InChI InChI=1S/C20H25N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h4,7-9,12,14-15,19H,1-3,5-6,10-11,13H2,(H,21,22)
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708 -35.1n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22544
PNG
(4-(1H-imidazol-4-ylmethyl)benzonitrile | 4-Benzyl-...)
Show SMILES N#Cc1ccc(Cc2cnc[nH]2)cc1
Show InChI InChI=1S/C11H9N3/c12-6-10-3-1-9(2-4-10)5-11-7-13-8-14-11/h1-4,7-8H,5H2,(H,13,14)
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813 -34.8n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22539
PNG
(4-({3-[2-(naphthalen-1-yl)ethynyl]phenyl}methyl)-1...)
Show SMILES C(c1cnc[nH]1)c1cccc(c1)C#Cc1cccc2ccccc12
Show InChI InChI=1S/C22H16N2/c1-2-10-22-19(7-1)8-4-9-20(22)12-11-17-5-3-6-18(13-17)14-21-15-23-16-24-21/h1-10,13,15-16H,14H2,(H,23,24)
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1.74E+3 -32.9n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22553
PNG
(2-[3-(1H-imidazol-4-ylmethyl)phenyl]-5,5-dimethyl-...)
Show SMILES CC1(C)COC(=NC1)c1cccc(Cc2cnc[nH]2)c1 |c:5|
Show InChI InChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)
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2.51E+3 -32.0n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22543
PNG
(2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-...)
Show SMILES CC1(C)COC(=N1)c1ccc(Cc2cnc[nH]2)cc1 |c:5|
Show InChI InChI=1S/C15H17N3O/c1-15(2)9-19-14(18-15)12-5-3-11(4-6-12)7-13-8-16-10-17-13/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
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2.51E+3 -32.0n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422558
PNG
(CHEMBL434705)
Show SMILES CC[C@H](N1C[C@H](CN=[N+]=[N-])CC1=O)C(N)=O
Show InChI InChI=1S/C9H15N5O2/c1-2-7(9(10)16)14-5-6(3-8(14)15)4-12-13-11/h6-7H,2-5H2,1H3,(H2,10,16)/t6-,7-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422531
PNG
(BRIVARACETAM | UCB-34714)
Show SMILES CCC[C@H]1CN([C@@H](CC)C(N)=O)C(=O)C1 |r|
Show InChI InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9+/m1/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422517
PNG
(CHEMBL149348)
Show SMILES CC[C@H](N1C[C@H](CO[N+]([O-])=O)CC1=O)C(N)=O
Show InChI InChI=1S/C9H15N3O5/c1-2-7(9(10)14)11-4-6(3-8(11)13)5-17-12(15)16/h6-7H,2-5H2,1H3,(H2,10,14)/t6-,7+/m1/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422548
PNG
(CHEMBL150241)
Show SMILES CC[C@H](N1CC(CC2CC2)CC1=O)C(N)=O
Show InChI InChI=1S/C12H20N2O2/c1-2-10(12(13)16)14-7-9(6-11(14)15)5-8-3-4-8/h8-10H,2-7H2,1H3,(H2,13,16)/t9?,10-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422518
PNG
(CHEMBL358242)
Show SMILES CC[C@H](N1C[C@H](CSC)CC1=O)C(N)=O
Show InChI InChI=1S/C10H18N2O2S/c1-3-8(10(11)14)12-5-7(6-15-2)4-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7-,8+/m1/s1
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n/an/a 126n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422525
PNG
(CHEMBL348187)
Show SMILES CC[C@H](N1C[C@H](CI)CC1=O)C(N)=O
Show InChI InChI=1S/C9H15IN2O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)/t6-,7-/m0/s1
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n/an/a 158n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422519
PNG
(CHEMBL358393)
Show SMILES CC[C@H](N1C[C@H](CCl)CC1=O)C(N)=O
Show InChI InChI=1S/C9H15ClN2O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)/t6-,7-/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422522
PNG
(CHEMBL347071)
Show SMILES CC[C@H](N1C[C@H](CBr)CC1=O)C(N)=O
Show InChI InChI=1S/C9H15BrN2O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)/t6-,7-/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422540
PNG
(CHEMBL152911)
Show SMILES CCC[C@@H]1CN([C@@H](CC)C(N)=O)C(=O)C1
Show InChI InChI=1S/C11H20N2O2/c1-3-5-8-6-10(14)13(7-8)9(4-2)11(12)15/h8-9H,3-7H2,1-2H3,(H2,12,15)/t8-,9-/m0/s1
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n/an/a 251n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422526
PNG
(CHEMBL359062)
Show SMILES CCCCC1CN(C(CC)C(N)=O)C(=O)C1
Show InChI InChI=1S/C12H22N2O2/c1-3-5-6-9-7-11(15)14(8-9)10(4-2)12(13)16/h9-10H,3-8H2,1-2H3,(H2,13,16)
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n/an/a 398n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422533
PNG
(CHEMBL150331)
Show SMILES CCCC1(C)CN([C@@H](CC)C(N)=O)C(=O)C1
Show InChI InChI=1S/C12H22N2O2/c1-4-6-12(3)7-10(15)14(8-12)9(5-2)11(13)16/h9H,4-8H2,1-3H3,(H2,13,16)/t9-,12?/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422556
PNG
(CHEMBL358161)
Show SMILES CCC(N(S)C(=S)C1CC1)C(N)=O
Show InChI InChI=1S/C8H14N2OS2/c1-2-6(7(9)11)10(13)8(12)5-3-4-5/h5-6,13H,2-4H2,1H3,(H2,9,11)
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422542
PNG
(Keppra | Keppra Xr | LEVETIRACETAM | Levetiracetam...)
Show SMILES CC[C@H](N1CCCC1=O)C(N)=O |r|
Show InChI InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422523
PNG
(CHEMBL358239)
Show SMILES CC[C@H](N1CC(CC(C)(C)C)CC1=O)C(N)=O
Show InChI InChI=1S/C13H24N2O2/c1-5-10(12(14)17)15-8-9(6-11(15)16)7-13(2,3)4/h9-10H,5-8H2,1-4H3,(H2,14,17)/t9?,10-/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422541
PNG
(CHEMBL149400)
Show SMILES CC[C@H](N1C[C@H](C)CC1=O)C(N)=O
Show InChI InChI=1S/C9H16N2O2/c1-3-7(9(10)13)11-5-6(2)4-8(11)12/h6-7H,3-5H2,1-2H3,(H2,10,13)/t6-,7+/m1/s1
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n/an/a 1.26E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422555
PNG
(CHEMBL346223)
Show SMILES CC[C@H](N1C[C@H](CF)CC1=O)C(N)=O
Show InChI InChI=1S/C9H15FN2O2/c1-2-7(9(11)14)12-5-6(4-10)3-8(12)13/h6-7H,2-5H2,1H3,(H2,11,14)/t6-,7-/m0/s1
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422544
PNG
(CHEMBL154983)
Show SMILES CCCCCC1CN(C(CC)C(N)=O)C(=O)C1
Show InChI InChI=1S/C13H24N2O2/c1-3-5-6-7-10-8-12(16)15(9-10)11(4-2)13(14)17/h10-11H,3-9H2,1-2H3,(H2,14,17)
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UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422545
PNG
(CHEMBL345318)
Show SMILES CC[C@H](N1CC(CC)CC1=O)C(N)=O
Show InChI InChI=1S/C10H18N2O2/c1-3-7-5-9(13)12(6-7)8(4-2)10(11)14/h7-8H,3-6H2,1-2H3,(H2,11,14)/t7?,8-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422549
PNG
(CHEMBL150791)
Show SMILES CCC(N1CC(COC)CC1=O)C(N)=O
Show InChI InChI=1S/C10H18N2O3/c1-3-8(10(11)14)12-5-7(6-15-2)4-9(12)13/h7-8H,3-6H2,1-2H3,(H2,11,14)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422536
PNG
(CHEMBL421785)
Show SMILES CC[C@H](N1CC(CC1=O)NC(=O)OC)C(N)=O
Show InChI InChI=1S/C10H17N3O4/c1-3-7(9(11)15)13-5-6(4-8(13)14)12-10(16)17-2/h6-7H,3-5H2,1-2H3,(H2,11,15)(H,12,16)/t6?,7-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422551
PNG
(CHEMBL358877)
Show SMILES CCCCCN(C(CC)C(N)=O)C(=O)CC
Show InChI InChI=1S/C12H24N2O2/c1-4-7-8-9-14(11(15)6-3)10(5-2)12(13)16/h10H,4-9H2,1-3H3,(H2,13,16)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422534
PNG
(CHEMBL153282)
Show SMILES CCC(N1CC2(CCC2)CC1=O)C(N)=O
Show InChI InChI=1S/C11H18N2O2/c1-2-8(10(12)15)13-7-11(4-3-5-11)6-9(13)14/h8H,2-7H2,1H3,(H2,12,15)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
Synaptic vesicle protein 2a


(Rattus norvegicus)
BDBM50422543
PNG
(CHEMBL153264)
Show SMILES CCCCCCCCN(C(CC)C(N)=O)C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H31ClN2O2/c1-3-5-6-7-8-9-14-23(18(4-2)20(22)25)19(24)15-16-10-12-17(21)13-11-16/h10-13,18H,3-9,14-15H2,1-2H3,(H2,22,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



UCB S.A.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against [3H](2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site


J Med Chem 47: 530-49 (2004)

Checked by Author
Article DOI: 10.1021/jm030913e
BindingDB Entry DOI: 10.7270/Q2GF0VQ6
More data for this
Ligand-Target Pair
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