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PubMed code 19791743

Compile data set for download or QSAR
Found 41 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 H4 receptor


(Homo sapiens (Human))		BDBM50415643
PNG
(CHEMBL1078642 | UR-PI376)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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PubMed
 57.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50415643
PNG
(CHEMBL1078642 | UR-PI376)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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 525n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpah-methylhistamine from human histamine H3 receptor expressed in Sf9 cells

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415643
PNG
(CHEMBL1078642 | UR-PI376)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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PubMed
 4.07E+3n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]tiotidine from human histamine H2 receptor expressed in Sf9 cells

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM50415643
PNG
(CHEMBL1078642 | UR-PI376)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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 2.57E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in Sf9 cells

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
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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n/an/an/an/a 110n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM22880
PNG
(2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine | 4-Met...)
Show SMILES Cc1nc[nH]c1CCN
Show InChI InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
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n/an/an/an/a 1.58E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM22880
PNG
(2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine | 4-Met...)
Show SMILES Cc1nc[nH]c1CCN
Show InChI InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
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n/an/an/an/a 70.8n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415653
PNG
(CHEMBL1078210)
Show SMILES N#CNC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6/c18-13-22-17(21-11-5-9-16-12-19-14-23-16)20-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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n/an/an/an/a 1.41E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415655
PNG
(CHEMBL1078529)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C16H20N6S/c17-12-21-16(19-8-4-5-14-11-18-13-22-14)20-9-10-23-15-6-2-1-3-7-15/h1-3,6-7,11,13H,4-5,8-10H2,(H,18,22)(H2,19,20,21)
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n/an/an/an/a 7.24E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415657
PNG
(CHEMBL1077862)
Show SMILES CNC(NC#N)=NCCCCc1cnc[nH]1 |w:6.6|
Show InChI InChI=1S/C10H16N6/c1-12-10(15-7-11)14-5-3-2-4-9-6-13-8-16-9/h6,8H,2-5H2,1H3,(H,13,16)(H2,12,14,15)
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n/an/an/an/a 955n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415658
PNG
(CHEMBL1077756)
Show SMILES CCNC(NC#N)=NCCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C11H18N6/c1-2-14-11(16-8-12)15-6-4-3-5-10-7-13-9-17-10/h7,9H,2-6H2,1H3,(H,13,17)(H2,14,15,16)
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n/an/an/an/a 708n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415649
PNG
(CHEMBL1077860)
Show SMILES CC(CCNC(NC#N)=NCCCCc1cnc[nH]1)c1ccccc1 |w:9.9|
Show InChI InChI=1S/C19H26N6/c1-16(17-7-3-2-4-8-17)10-12-23-19(24-14-20)22-11-6-5-9-18-13-21-15-25-18/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3,(H,21,25)(H2,22,23,24)
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n/an/an/an/a 141n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 191n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 12.0n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415651
PNG
(CHEMBL1081318)
Show SMILES N#CNC(NCCCc1ccccc1)=NCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C16H20N6/c17-12-21-16(20-10-8-15-11-18-13-22-15)19-9-4-7-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10H2,(H,18,22)(H2,19,20,21)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415652
PNG
(CHEMBL1080772)
Show SMILES N#CNC(NCCCC1CCCCC1)=NCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C16H26N6/c17-12-21-16(20-10-8-15-11-18-13-22-15)19-9-4-7-14-5-2-1-3-6-14/h11,13-14H,1-10H2,(H,18,22)(H2,19,20,21)
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n/an/an/an/a 3.89E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415639
PNG
(CHEMBL1078746)
Show SMILES NC(=O)NC(NCCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:16.17|
Show InChI InChI=1S/C18H26N6O/c19-17(25)24-18(22-12-6-10-16-13-20-14-23-16)21-11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,23)(H4,19,21,22,24,25)
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n/an/an/an/a 380n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415638
PNG
(CHEMBL1078359)
Show SMILES NC(=O)NC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C17H24N6O/c18-16(24)23-17(21-11-5-9-15-12-19-13-22-15)20-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,22)(H4,18,20,21,23,24)
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n/an/an/an/a 645n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415644
PNG
(CHEMBL1078631)
Show SMILES N#CNC(NCCCc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C18H24N6/c19-14-23-18(21-11-5-4-10-17-13-20-15-24-17)22-12-6-9-16-7-2-1-3-8-16/h1-3,7-8,13,15H,4-6,9-12H2,(H,20,24)(H2,21,22,23)
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n/an/an/an/a 151n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415645
PNG
(CHEMBL1078632)
Show SMILES N#CNC(NCCc1ccccc1)=NCCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C17H22N6/c18-13-22-17(21-11-9-15-6-2-1-3-7-15)20-10-5-4-8-16-12-19-14-23-16/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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n/an/an/an/a 1.10E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415647
PNG
(CHEMBL1077737)
Show SMILES N#CNC(NCCCc1cccnc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H23N7/c18-13-23-17(21-9-2-1-7-16-12-20-14-24-16)22-10-4-6-15-5-3-8-19-11-15/h3,5,8,11-12,14H,1-2,4,6-7,9-10H2,(H,20,24)(H2,21,22,23)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 25.1n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-sta...

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
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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n/an/an/an/a 97.7n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-sta...

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415656
PNG
(CHEMBL1077861)
Show SMILES NC(NC#N)=NCCCCc1cnc[nH]1 |w:5.5|
Show InChI InChI=1S/C9H14N6/c10-6-14-9(11)13-4-2-1-3-8-5-12-7-15-8/h5,7H,1-4H2,(H,12,15)(H3,11,13,14)
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n/an/an/an/a 170n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415660
PNG
(CHEMBL1078346)
Show SMILES CC(C)CNC(NC#N)=NCCCCc1cnc[nH]1 |w:9.9|
Show InChI InChI=1S/C13H22N6/c1-11(2)7-17-13(18-9-14)16-6-4-3-5-12-8-15-10-19-12/h8,10-11H,3-7H2,1-2H3,(H,15,19)(H2,16,17,18)
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n/an/an/an/a 120n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))		BDBM50415656
PNG
(CHEMBL1077861)
Show SMILES NC(NC#N)=NCCCCc1cnc[nH]1 |w:5.5|
Show InChI InChI=1S/C9H14N6/c10-6-14-9(11)13-4-2-1-3-8-5-12-7-15-8/h5,7H,1-4H2,(H,12,15)(H3,11,13,14)
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n/an/an/an/a 251n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in Sf9 cells coexpressing Gialpha-2-Gbeta-1-gamma-2 and RGS4 proteins protein by steady-sta...

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415642
PNG
(CHEMBL1081319)
Show SMILES N#CNC(NCCCCc1ccccc1)=NCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C17H22N6/c18-13-22-17(21-11-9-16-12-19-14-23-16)20-10-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415648
PNG
(CHEMBL1077859)
Show SMILES N#CNC(NCCCc1ccncc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H23N7/c18-13-23-17(21-8-2-1-5-16-12-20-14-24-16)22-9-3-4-15-6-10-19-11-7-15/h6-7,10-12,14H,1-5,8-9H2,(H,20,24)(H2,21,22,23)
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n/an/an/an/a 2.57E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415655
PNG
(CHEMBL1078529)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C16H20N6S/c17-12-21-16(19-8-4-5-14-11-18-13-22-14)20-9-10-23-15-6-2-1-3-7-15/h1-3,6-7,11,13H,4-5,8-10H2,(H,18,22)(H2,19,20,21)
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n/an/an/an/a 1.29E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415659
PNG
(CHEMBL1077636)
Show SMILES CC(C)NC(NC#N)=NCCCCc1cnc[nH]1 |w:8.8|
Show InChI InChI=1S/C12H20N6/c1-10(2)18-12(16-8-13)15-6-4-3-5-11-7-14-9-17-11/h7,9-10H,3-6H2,1-2H3,(H,14,17)(H2,15,16,18)
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n/an/an/an/a 331n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415640
PNG
(CHEMBL1077596)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C14H19N5O2S/c1-11-4-6-13(7-5-11)22(20,21)19-14(15)17-8-2-3-12-9-16-10-18-12/h4-7,9-10H,2-3,8H2,1H3,(H,16,18)(H3,15,17,19)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415641
PNG
(CHEMBL1078747)
Show SMILES N=C(NCCCc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C15H21N5O2S/c16-15(18-9-4-7-14-11-17-12-19-14)20-23(21,22)10-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,17,19)(H3,16,18,20)
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415646
PNG
(CHEMBL1077580)
Show SMILES N#CNC(NCCCc1ccccn1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H23N7/c18-13-23-17(21-10-4-2-7-16-12-19-14-24-16)22-11-5-8-15-6-1-3-9-20-15/h1,3,6,9,12,14H,2,4-5,7-8,10-11H2,(H,19,24)(H2,21,22,23)
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n/an/an/an/a 575n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415650
PNG
(CHEMBL1078357)
Show SMILES Cc1nc[nH]c1CSCCN=C(NCCC(c1ccccc1)c1ccccc1)NC#N |w:10.10|
Show InChI InChI=1S/C24H28N6S/c1-19-23(30-18-29-19)16-31-15-14-27-24(28-17-25)26-13-12-22(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,22H,12-16H2,1H3,(H,29,30)(H2,26,27,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415653
PNG
(CHEMBL1078210)
Show SMILES N#CNC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6/c18-13-22-17(21-11-5-9-16-12-19-14-23-16)20-10-4-8-15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11H2,(H,19,23)(H2,20,21,22)
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n/an/an/an/a 759n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415637
PNG
(CHEMBL1078358 | UR-PI97)
Show SMILES NC(=O)NC(NCCCc1ccccc1)=NCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C16H22N6O/c17-15(23)22-16(20-10-8-14-11-18-12-21-14)19-9-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,21)(H4,17,19,20,22,23)
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n/an/an/an/a 2.00E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM22880
PNG
(2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine | 4-Met...)
Show SMILES Cc1nc[nH]c1CCN
Show InChI InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
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n/an/an/an/a 2.88E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415654
PNG
(CHEMBL1078212)
Show SMILES N#CNC(NCCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H24N6/c19-14-23-18(22-12-6-10-17-13-20-15-24-17)21-11-5-4-9-16-7-2-1-3-8-16/h1-3,7-8,13,15H,4-6,9-12H2,(H,20,24)(H2,21,22,23)
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n/an/an/an/a 8.91E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))		BDBM50415638
PNG
(CHEMBL1078359)
Show SMILES NC(=O)NC(NCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C17H24N6O/c18-16(24)23-17(21-11-5-9-15-12-19-13-22-15)20-10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,22)(H4,18,20,21,23,24)
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n/an/an/an/a 646n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H2 receptor expressed in Sf9 cells coexpressing GsalphaS protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))		BDBM50415643
PNG
(CHEMBL1078642 | UR-PI376)
Show SMILES N#CNC(NCCSc1ccccc1)=NCCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H22N6S/c18-13-22-17(20-9-5-4-6-15-12-19-14-23-15)21-10-11-24-16-7-2-1-3-8-16/h1-3,7-8,12,14H,4-6,9-11H2,(H,19,23)(H2,20,21,22)
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PubMed
n/an/an/an/a 33.9n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19 protein by steady-state GTPase assay

J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%