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PubMed code 21498080

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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))		BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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 0.700n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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 1.60n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human full-length histamine H4 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
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 full-length histamine H4 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343837
PNG
(3-(1H-imidazol-4-yl)propyl pent-4-enylcarbamate hy...)
Show SMILES C=CCCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16)
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 14n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343838
PNG
(3-(1H-imidazol-4-yl)propyl 2-cyclopropylethylcarba...)
Show SMILES O=C(NCCC1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-12(14-6-5-10-3-4-10)17-7-1-2-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)
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 17n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343839
PNG
((E)-3-(1H-Imidazol-4-yl)propyl3,7-dimethylocta-2,6...)
Show SMILES CC(C)=CCC\C(C)=C\CNC(=O)OCCCc1cnc[nH]1 |(49.85,-16.23,;48.52,-15.46,;48.51,-13.92,;47.18,-16.23,;45.85,-15.46,;44.52,-16.24,;43.19,-15.46,;43.18,-13.94,;41.85,-16.23,;40.52,-15.46,;39.19,-16.23,;37.86,-15.45,;37.87,-13.91,;36.53,-16.22,;35.2,-15.44,;33.87,-16.21,;32.54,-15.44,;31.21,-16.21,;31.05,-17.74,;29.55,-18.06,;28.78,-16.73,;29.8,-15.59,)|
Show InChI InChI=1S/C17H27N3O2/c1-14(2)6-4-7-15(3)9-10-19-17(21)22-11-5-8-16-12-18-13-20-16/h6,9,12-13H,4-5,7-8,10-11H2,1-3H3,(H,18,20)(H,19,21)/b15-9+
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 20n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343840
PNG
((E)-3-(1H-Imidazol-4-yl)propylhex-2-enylcarbamateh...)
Show SMILES CCC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H21N3O2/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,16)(H,15,17)/b5-4+
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 24n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343841
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbama...)
Show SMILES O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)
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 25n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343842
PNG
((E)-3-(1H-Imidazol-4-yl)propylhex-3-enylcarbamateh...)
Show SMILES CC\C=C\CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H21N3O2/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12/h3-4,10-11H,2,5-9H2,1H3,(H,14,16)(H,15,17)/b4-3+
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 26n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343843
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexenylethylcarba...)
Show SMILES O=C(NCCC1=CCCCC1)OCCCc1cnc[nH]1 |t:5|
Show InChI InChI=1S/C15H23N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h5,11-12H,1-4,6-10H2,(H,16,18)(H,17,19)
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 26n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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 27n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343844
PNG
((E)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3+
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 27n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
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 full-length histamine H4 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
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 [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)
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 54n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343849
PNG
(3-(1H-Imidazol-4-yl)propylbut-3-enylcarbamate hydr...)
Show SMILES C=CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2,8-9H,1,3-7H2,(H,12,14)(H,13,15)
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 55n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
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 [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343847
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylpropylcarbam...)
Show SMILES O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C16H27N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,17,19)(H,18,20)
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 86n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343841
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbama...)
Show SMILES O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)
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 154n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343838
PNG
(3-(1H-imidazol-4-yl)propyl 2-cyclopropylethylcarba...)
Show SMILES O=C(NCCC1CC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c16-12(14-6-5-10-3-4-10)17-7-1-2-11-8-13-9-15-11/h8-10H,1-7H2,(H,13,15)(H,14,16)
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 155n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50343846
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylbutylcarbama...)
Show SMILES O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H29N3O2/c21-17(22-12-6-10-16-13-18-14-20-16)19-11-5-4-9-15-7-2-1-3-8-15/h13-15H,1-12H2,(H,18,20)(H,19,21)
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 194n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells after 60 mins by gamma counting

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343849
PNG
(3-(1H-Imidazol-4-yl)propylbut-3-enylcarbamate hydr...)
Show SMILES C=CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2,8-9H,1,3-7H2,(H,12,14)(H,13,15)
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 378n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343837
PNG
(3-(1H-imidazol-4-yl)propyl pent-4-enylcarbamate hy...)
Show SMILES C=CCCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h2,9-10H,1,3-8H2,(H,13,15)(H,14,16)
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 421n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343847
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylpropylcarbam...)
Show SMILES O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C16H27N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,17,19)(H,18,20)
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 447n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343846
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylbutylcarbama...)
Show SMILES O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H29N3O2/c21-17(22-12-6-10-16-13-18-14-20-16)19-11-5-4-9-15-7-2-1-3-8-15/h13-15H,1-12H2,(H,18,20)(H,19,21)
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 500n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
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 full-length histamine H4 receptor expressed in HEK293 cells after 60 mins

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343840
PNG
((E)-3-(1H-Imidazol-4-yl)propylhex-2-enylcarbamateh...)
Show SMILES CCC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H21N3O2/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12/h4-5,10-11H,2-3,6-9H2,1H3,(H,14,16)(H,15,17)/b5-4+
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 703n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)
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 1.05E+3n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50343842
PNG
((E)-3-(1H-Imidazol-4-yl)propylhex-3-enylcarbamateh...)
Show SMILES CC\C=C\CCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C13H21N3O2/c1-2-3-4-5-8-15-13(17)18-9-6-7-12-10-14-11-16-12/h3-4,10-11H,2,5-9H2,1H3,(H,14,16)(H,15,17)/b4-3+
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 1.33E+3n/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 co-expressing Galphai2 and Gbeta1gamma2 subunit after 60 mins b...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343843
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexenylethylcarba...)
Show SMILES O=C(NCCC1=CCCCC1)OCCCc1cnc[nH]1 |t:5|
Show InChI InChI=1S/C15H23N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h5,11-12H,1-4,6-10H2,(H,16,18)(H,17,19)
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n/an/a 29n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343846
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylbutylcarbama...)
Show SMILES O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H29N3O2/c21-17(22-12-6-10-16-13-18-14-20-16)19-11-5-4-9-15-7-2-1-3-8-15/h13-15H,1-12H2,(H,18,20)(H,19,21)
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n/an/a 32n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343841
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbama...)
Show SMILES O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)
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n/an/a 33n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343847
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylpropylcarbam...)
Show SMILES O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C16H27N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,17,19)(H,18,20)
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n/an/a 43n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343844
PNG
((E)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C\CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3+
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n/an/a 51n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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n/an/a 52n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343849
PNG
(3-(1H-Imidazol-4-yl)propylbut-3-enylcarbamate hydr...)
Show SMILES C=CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2,8-9H,1,3-7H2,(H,12,14)(H,13,15)
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n/an/a 68n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)		BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)
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n/an/a 128n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity against histamine H3 receptor in guinea pig ileum assessed as inhibition of electrically-evoked twitches after 30 mins in presenc...

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343849
PNG
(3-(1H-Imidazol-4-yl)propylbut-3-enylcarbamate hydr...)
Show SMILES C=CCCNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2,8-9H,1,3-7H2,(H,12,14)(H,13,15)
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n/an/an/a>1.00E+5n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343847
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylpropylcarbam...)
Show SMILES O=C(NCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C16H27N3O2/c20-16(21-11-5-9-15-12-17-13-19-15)18-10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,17,19)(H,18,20)
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n/an/an/a 1.07E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343848
PNG
((E/Z)-3-(1H-Imidazol-4-yl)propylbut-2-enylcarbamat...)
Show SMILES CC=CCNC(=O)OCCCc1cnc[nH]1 |w:1.0|
Show InChI InChI=1S/C11H17N3O2/c1-2-3-6-13-11(15)16-7-4-5-10-8-12-9-14-10/h2-3,8-9H,4-7H2,1H3,(H,12,14)(H,13,15)
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n/an/an/a 6.92E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343841
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylethylcarbama...)
Show SMILES O=C(NCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C15H25N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h11-13H,1-10H2,(H,16,18)(H,17,19)
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n/an/an/a 1.10E+5n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343843
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexenylethylcarba...)
Show SMILES O=C(NCCC1=CCCCC1)OCCCc1cnc[nH]1 |t:5|
Show InChI InChI=1S/C15H23N3O2/c19-15(17-9-8-13-5-2-1-3-6-13)20-10-4-7-14-11-16-12-18-14/h5,11-12H,1-4,6-10H2,(H,16,18)(H,17,19)
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n/an/an/a 4.68E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343845
PNG
((Z)-3-(1H-Imidazol-4-yl)propylpent-2-enylcarbamate...)
Show SMILES CC\C=C/CNC(=O)OCCCc1cnc[nH]1
Show InChI InChI=1S/C12H19N3O2/c1-2-3-4-7-14-12(16)17-8-5-6-11-9-13-10-15-11/h3-4,9-10H,2,5-8H2,1H3,(H,13,15)(H,14,16)/b4-3-
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n/an/an/a 7.94E+4n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50343846
PNG
(3-(1H-Imidazol-4-yl)propyl2-cyclohexylbutylcarbama...)
Show SMILES O=C(NCCCCC1CCCCC1)OCCCc1cnc[nH]1
Show InChI InChI=1S/C17H29N3O2/c21-17(22-12-6-10-16-13-18-14-20-16)19-11-5-4-9-15-7-2-1-3-8-15/h13-15H,1-12H2,(H,18,20)(H,19,21)
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n/an/an/a>3.02E+3n/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea-pig ileum

Bioorg Med Chem 19: 2850-8 (2011)


Article DOI: 10.1016/j.bmc.2011.03.046
BindingDB Entry DOI: 10.7270/Q2X63N8N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%