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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with all data for entry = 50031352   
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


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
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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2.40n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
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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4.30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311769
PNG
((S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C12H21N3O2/c1-3-10(2)7-14-12(16)17-6-4-5-11-8-13-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t10-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074076
PNG
((3-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCC(C)CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-11(2)6-7-15-13(17)18-8-4-5-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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5.10n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074088
PNG
((2-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCC(C)CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-5-11(2)8-15-13(17)18-7-4-6-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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8.30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074072
PNG
((1-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
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8.70n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311765
PNG
((R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate ...)
Show SMILES CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311768
PNG
((R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamat...)
Show SMILES CCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C12H21N3O2/c1-3-5-10(2)15-12(16)17-7-4-6-11-8-13-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311772
PNG
((S)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate...)
Show SMILES CCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
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12n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074076
PNG
((3-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCC(C)CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-11(2)6-7-15-13(17)18-8-4-5-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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13n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311780
PNG
(3-(1H-imidazol-4-yl)propyl 4-methylpentylcarbamate...)
Show SMILES CC(C)CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-11(2)5-3-7-15-13(17)18-8-4-6-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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13n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074088
PNG
((2-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCC(C)CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-5-11(2)8-15-13(17)18-7-4-6-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311768
PNG
((R)-3-(1H-imidazol-4-yl)propyl pentan-2-ylcarbamat...)
Show SMILES CCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C12H21N3O2/c1-3-5-10(2)15-12(16)17-7-4-6-11-8-13-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)/t10-/m1/s1
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074073
PNG
((1-Methyl-hexyl)-carbamic acid 3-(1H-imidazol-4-yl...)
Show SMILES CCCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311777
PNG
((S)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamat...)
Show SMILES CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074069
PNG
((1-Methyl-heptyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H27N3O2/c1-3-4-5-6-8-13(2)18-15(19)20-10-7-9-14-11-16-12-17-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311769
PNG
((S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C12H21N3O2/c1-3-10(2)7-14-12(16)17-6-4-5-11-8-13-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t10-/m0/s1
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18n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311771
PNG
((R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate...)
Show SMILES CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1
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19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311771
PNG
((R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate...)
Show SMILES CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1
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19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311765
PNG
((R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate ...)
Show SMILES CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
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19n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074087
PNG
(CHEMBL1076266 | CHEMBL157493 | sec-Butyl-carbamic ...)
Show SMILES CCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
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20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074062
PNG
((1-Methyl-butyl)-carbamic acid 3-(1H-imidazol-4-yl...)
Show SMILES CCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H21N3O2/c1-3-5-10(2)15-12(16)17-7-4-6-11-8-13-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
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21n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311778
PNG
((R,S)-3-(1H-imidazol-4-yl)propyl 6-methylheptan-2-...)
Show SMILES CC(C)CCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H27N3O2/c1-12(2)6-4-7-13(3)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
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22n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311766
PNG
((S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate ...)
Show SMILES CC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
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23n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50311776
PNG
((R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamat...)
Show SMILES CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
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23n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074062
PNG
((1-Methyl-butyl)-carbamic acid 3-(1H-imidazol-4-yl...)
Show SMILES CCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H21N3O2/c1-3-5-10(2)15-12(16)17-7-4-6-11-8-13-9-14-11/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
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25n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311783
PNG
((R)-3-(1H-imidazol-4-yl)propyl octan-2-ylcarbamate...)
Show SMILES CCCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C15H27N3O2/c1-3-4-5-6-8-13(2)18-15(19)20-10-7-9-14-11-16-12-17-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
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28n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074072
PNG
((1-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
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29n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311781
PNG
((R,S)-3-(1H-imidazol-4-yl)propyl 5-methylhexan-2-y...)
Show SMILES CC(C)CCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H25N3O2/c1-11(2)6-7-12(3)17-14(18)19-8-4-5-13-9-15-10-16-13/h9-12H,4-8H2,1-3H3,(H,15,16)(H,17,18)
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30n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311766
PNG
((S)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate ...)
Show SMILES CC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m0/s1
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31n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311782
PNG
((R,S)-3-(1H-imidazol-4-yl)propyl 2-ethylhexylcarba...)
Show SMILES CCCCC(CC)CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H27N3O2/c1-3-5-7-13(4-2)10-17-15(19)20-9-6-8-14-11-16-12-18-14/h11-13H,3-10H2,1-2H3,(H,16,18)(H,17,19)
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37n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311776
PNG
((R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamat...)
Show SMILES CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
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41n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311772
PNG
((S)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate...)
Show SMILES CCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m0/s1
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42n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311784
PNG
((S)-3-(1H-imidazol-4-yl)propyl octan-2-ylcarbamate...)
Show SMILES CCCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C15H27N3O2/c1-3-4-5-6-8-13(2)18-15(19)20-10-7-9-14-11-16-12-17-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
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43n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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43n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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46n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074087
PNG
(CHEMBL1076266 | CHEMBL157493 | sec-Butyl-carbamic ...)
Show SMILES CCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
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49n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074073
PNG
((1-Methyl-hexyl)-carbamic acid 3-(1H-imidazol-4-yl...)
Show SMILES CCCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)
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52n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311777
PNG
((S)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamat...)
Show SMILES CCCCC[C@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
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74n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50311778
PNG
((R,S)-3-(1H-imidazol-4-yl)propyl 6-methylheptan-2-...)
Show SMILES CC(C)CCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H27N3O2/c1-12(2)6-4-7-13(3)18-15(19)20-9-5-8-14-10-16-11-17-14/h10-13H,4-9H2,1-3H3,(H,16,17)(H,18,19)
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75n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50074069
PNG
((1-Methyl-heptyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H27N3O2/c1-3-4-5-6-8-13(2)18-15(19)20-10-7-9-14-11-16-12-17-14/h11-13H,3-10H2,1-2H3,(H,16,17)(H,18,19)
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91n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50311769
PNG
((S)-3-(1H-imidazol-4-yl)propyl 2-methylbutylcarbam...)
Show SMILES CC[C@H](C)CNC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C12H21N3O2/c1-3-10(2)7-14-12(16)17-6-4-5-11-8-13-9-15-11/h8-10H,3-7H2,1-2H3,(H,13,15)(H,14,16)/t10-/m0/s1
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118n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50074076
PNG
((3-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCC(C)CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-11(2)6-7-15-13(17)18-8-4-5-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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123n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50074088
PNG
((2-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCC(C)CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-5-11(2)8-15-13(17)18-7-4-6-12-9-14-10-16-12/h9-11H,3-8H2,1-2H3,(H,14,16)(H,15,17)
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162n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50311765
PNG
((R)-3-(1H-imidazol-4-yl)propyl sec-butylcarbamate ...)
Show SMILES CC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C11H19N3O2/c1-3-9(2)14-11(15)16-6-4-5-10-7-12-8-13-10/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
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290n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50311771
PNG
((R)-3-(1H-imidazol-4-yl)propyl hexan-2-ylcarbamate...)
Show SMILES CCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t11-/m1/s1
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426n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM27213
PNG
(4-[3-(4-cyclopropanecarbonylphenoxy)propyl]-1H-imi...)
Show SMILES O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C16H18N2O2/c19-16(12-3-4-12)13-5-7-15(8-6-13)20-9-1-2-14-10-17-11-18-14/h5-8,10-12H,1-4,9H2,(H,17,18)
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612n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50311776
PNG
((R)-3-(1H-imidazol-4-yl)propyl heptan-2-ylcarbamat...)
Show SMILES CCCCC[C@@H](C)NC(=O)OCCCc1cnc[nH]1 |r|
Show InChI InChI=1S/C14H25N3O2/c1-3-4-5-7-12(2)17-14(18)19-9-6-8-13-10-15-11-16-13/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/t12-/m1/s1
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636n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50074072
PNG
((1-Methyl-pentyl)-carbamic acid 3-(1H-imidazol-4-y...)
Show SMILES CCCCC(C)NC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3O2/c1-3-4-6-11(2)16-13(17)18-8-5-7-12-9-14-10-15-12/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)
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695n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2


Bioorg Med Chem Lett 19: 6682-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.005
BindingDB Entry DOI: 10.7270/Q2GM87DG
More data for this
Ligand-Target Pair
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