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Compile Data Set for Download or QSAR

Found 309 hits with Last Name = 'laitinen' and Initial = 'jt'   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472544
PNG
(Iodoproxyfan)
Show SMILES Ic1ccc(COCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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0.126n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472543
PNG
(CHEMBL278276)
Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C\[C@@H](N)CC1CCCCC1
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6+/t13-,14-,15-/m1/s1
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0.398n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50214615
PNG
(CHEBI:64177 | Clobenpropit)
Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
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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1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50214615
PNG
(CHEBI:64177 | Clobenpropit)
Show SMILES Clc1ccc(CNC(=N)SCCCc2c[nH]cn2)cc1
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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1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050180
PNG
(4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...)
Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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1.26n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50050180
PNG
(4-[3-(4-Bromo-benzyloxy)-propyl]-1H-imidazole | CH...)
Show SMILES Brc1ccc(COCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C13H15BrN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
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1.26n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50215536
PNG
((R)-Alpha-Methylhistamine | CHEBI:73337 | CHEMBL26...)
Show SMILES C[C@@H](N)Cc1c[nH]cn1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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2.51n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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3.16n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472551
PNG
(proxifan | proxyfan)
Show SMILES C(COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
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5n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
PKi was measured by Histamine H3 receptor binding assay (N-alpha-MeHA) on rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472556
PNG
(CHEMBL428343)
Show SMILES N[C@H](COCC1CCCCC1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m0/s1
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12.6n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472542
PNG
(CHEMBL18554)
Show SMILES [H][C@@]1(C[C@]1([H])c1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1
Show InChI InChI=1S/C15H18N4O/c16-12(6-10-4-2-1-3-5-10)15(20)19-13-7-11(13)14-8-17-9-18-14/h1-5,8-9,11-13H,6-7,16H2,(H,17,18)(H,19,20)/t11-,12-,13-/m0/s1
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20n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472547
PNG
(CHEMBL19413)
Show SMILES N[C@H](COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m0/s1
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50.1n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472545
PNG
(CHEMBL418736)
Show SMILES N[C@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1
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79.4n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472546
PNG
(CHEMBL19469)
Show SMILES [H][C@]1(C[C@@]1([H])c1c[nH]cn1)\C=C/[C@@H](N)CC1CCCCC1
Show InChI InChI=1S/C16H25N3/c17-14(8-12-4-2-1-3-5-12)7-6-13-9-15(13)16-10-18-11-19-16/h6-7,10-15H,1-5,8-9,17H2,(H,18,19)/b7-6-/t13-,14-,15-/m1/s1
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100n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472552
PNG
(CHEMBL18696)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m0/s1
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100n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472559
PNG
((S)-Alpha-Methylhistamine | CHEMBL11919)
Show SMILES C[C@H](N)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
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158n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472560
PNG
(CHEMBL276987)
Show SMILES N[C@@H](COCC1CCCCC1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H23N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h7,10-12H,1-6,8-9,14H2,(H,15,16)/t12-/m1/s1
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158n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472550
PNG
(CHEMBL19329)
Show SMILES N[C@@H](COCc1ccc(I)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1
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199n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472558
PNG
(CHEMBL18685)
Show SMILES N[C@@H](COCc1ccc(Br)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16BrN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m1/s1
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199n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472557
PNG
(CHEMBL416365)
Show SMILES N[C@H](COCc1ccc(I)cc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H16IN3O/c14-11-3-1-10(2-4-11)7-18-8-12(15)5-13-6-16-9-17-13/h1-4,6,9,12H,5,7-8,15H2,(H,16,17)/t12-/m0/s1
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251n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472549
PNG
(CHEBI:16255 | HISTIDINOL)
Show SMILES N[C@H](CO)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
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251n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472554
PNG
(CHEMBL280034)
Show SMILES N[C@@H](COCc1ccccc1)Cc1c[nH]cn1
Show InChI InChI=1S/C13H17N3O/c14-12(6-13-7-15-10-16-13)9-17-8-11-4-2-1-3-5-11/h1-5,7,10,12H,6,8-9,14H2,(H,15,16)/t12-/m1/s1
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316n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472553
PNG
(CHEMBL19588)
Show SMILES N[C@@H](CO)Cc1c[nH]cn1
Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m1/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472548
PNG
(CHEMBL418734)
Show SMILES COC[C@@H](N)Cc1c[nH]cn1
Show InChI InChI=1S/C7H13N3O/c1-11-4-6(8)2-7-3-9-5-10-7/h3,5-6H,2,4,8H2,1H3,(H,9,10)/t6-/m0/s1
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1.25E+3n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Affinity for histamine H3 receptor in rat cerebral cortex.


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50472555
PNG
(CHEMBL18884)
Show SMILES N[C@H](Cc1ccccc1)C(=O)NCCc1c[nH]cn1
Show InChI InChI=1S/C14H18N4O/c15-13(8-11-4-2-1-3-5-11)14(19)17-7-6-12-9-16-10-18-12/h1-5,9-10,13H,6-8,15H2,(H,16,18)(H,17,19)/t13-/m1/s1
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<1.00E+4n/an/an/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Binding affinity of compound against Histamine H3 receptor


J Med Chem 42: 1193-202 (1999)


Article DOI: 10.1021/jm980408v
BindingDB Entry DOI: 10.7270/Q20Z760D
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50065646
PNG
(CHEMBL3087181)
Show SMILES O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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n/an/a 0.360n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 2-arachidonoylglycerol substrate assessed as arachidonic acid by HPLC analysis


Bioorg Med Chem Lett 25: 1436-42 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.037
BindingDB Entry DOI: 10.7270/Q20Z74Z4
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50065646
PNG
(CHEMBL3087181)
Show SMILES O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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n/an/a 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50065646
PNG
(CHEMBL3087181)
Show SMILES O=C(N1CCC(CC1)C(c1ccc2OCOc2c1)c1ccc2OCOc2c1)n1cncn1
Show InChI InChI=1S/C23H22N4O5/c28-23(27-12-24-11-25-27)26-7-5-15(6-8-26)22(16-1-3-18-20(9-16)31-13-29-18)17-2-4-19-21(10-17)32-14-30-19/h1-4,9-12,15,22H,5-8,13-14H2
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n/an/a 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 0.600n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308537
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O4/c1-3-4-8-15-30-22-20(29-2)12-11-18-16-19(24(28)26-21(18)22)23(27)25-14-13-17-9-6-5-7-10-17/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,25,27)(H,26,28)
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n/an/a 0.630n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099620
PNG
(CHEMBL3356985)
Show SMILES OC(C1CCN(CC1)C(=O)n1cncn1)(c1ccc2OCOc2c1)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H22N4O6/c28-22(27-12-24-11-25-27)26-7-5-15(6-8-26)23(29,16-1-3-18-20(9-16)32-13-30-18)17-2-4-19-21(10-17)33-14-31-19/h1-4,9-12,15,29H,5-8,13-14H2
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n/an/a 0.692n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099613
PNG
(CHEMBL3356958)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H22N4O/c26-21(25-12-11-22-17-25)24-15-13-23(14-16-24)20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,17,20H,13-16H2
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n/an/a 0.700n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate assessed as remaining activity at 10 uM


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308539
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCCc3ccccc3)c(=O)[nH]c12
Show InChI InChI=1S/C25H30N2O4/c1-3-4-8-16-31-23-21(30-2)14-13-19-17-20(25(29)27-22(19)23)24(28)26-15-9-12-18-10-6-5-7-11-18/h5-7,10-11,13-14,17H,3-4,8-9,12,15-16H2,1-2H3,(H,26,28)(H,27,29)
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n/an/a 0.790n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099618
PNG
(CHEMBL1232635)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
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n/an/a 0.851n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099618
PNG
(CHEMBL1232635)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C(=O)n1cncn1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
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n/an/a 0.900n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50102829
PNG
(CHEMBL3356956)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C20H21N5O/c26-20(25-16-21-15-22-25)24-13-11-23(12-14-24)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,19H,11-14H2
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n/an/a 1.30n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099610
PNG
(CHEMBL3356957)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)n1nnc2cccnc12
Show InChI InChI=1S/C23H22N6O/c30-23(29-22-20(25-26-29)12-7-13-24-22)28-16-14-27(15-17-28)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
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n/an/a 1.70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099614
PNG
(CHEMBL3356971)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1cncn1
Show InChI InChI=1S/C20H21N5O2/c26-20(25-16-21-15-22-25)24-11-9-23(10-12-24)14-17-5-4-8-19(13-17)27-18-6-2-1-3-7-18/h1-8,13,15-16H,9-12,14H2
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n/an/a 2.70n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422837
PNG
(CHEMBL382676)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(N)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H29N3O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14,25H2,1-2H3,(H,26,28)(H,27,29)
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Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50308538
PNG
(7-Methoxy-2-oxo-8-pentyloxy-1,2-dihydroquinoline-3...)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(Cl)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H27ClN2O4/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)27-21(17)22)23(28)26-13-12-16-6-9-18(25)10-7-16/h6-11,15H,3-5,12-14H2,1-2H3,(H,26,28)(H,27,29)
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099609
PNG
(CHEMBL3356975)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2cccnc12
Show InChI InChI=1S/C23H22N6O2/c30-23(29-22-21(25-26-29)10-5-11-24-22)28-14-12-27(13-15-28)17-18-6-4-9-20(16-18)31-19-7-2-1-3-8-19/h1-11,16H,12-15,17H2
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n/an/a 5.5n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50099604
PNG
(CHEMBL3356960)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)n1cncn1
Show InChI InChI=1S/C13H15N5O/c19-13(18-11-14-10-15-18)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
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n/an/a 6n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAAH expressed in COS7 cells using anandamide as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50099607
PNG
(CHEMBL3356974)
Show SMILES O=C(N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)n1nnc2ccccc12
Show InChI InChI=1S/C24H23N5O2/c30-24(29-23-12-5-4-11-22(23)25-26-29)28-15-13-27(14-16-28)18-19-7-6-10-21(17-19)31-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
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Article
PubMed
n/an/a 7.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL expressed in HEK293 cells using 2-AG as substrate


Bioorg Med Chem 22: 6694-705 (2014)


Article DOI: 10.1016/j.bmc.2014.09.012
BindingDB Entry DOI: 10.7270/Q2GH9KQ0
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50422834
PNG
(CHEMBL204387)
Show SMILES CCCCCOc1c(OC)ccc2cc(C(=O)NCCc3ccc(O)cc3)c(=O)[nH]c12
Show InChI InChI=1S/C24H28N2O5/c1-3-4-5-14-31-22-20(30-2)11-8-17-15-19(24(29)26-21(17)22)23(28)25-13-12-16-6-9-18(27)10-7-16/h6-11,15,27H,3-5,12-14H2,1-2H3,(H,25,28)(H,26,29)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO cells


J Med Chem 49: 2022-7 (2006)


Article DOI: 10.1021/jm050879z
BindingDB Entry DOI: 10.7270/Q21J9C3R
More data for this
Ligand-Target Pair
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