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12 similar compounds to monomer 50377986

Compile data set for download or QSAR
Wt: 299.3
BDBM86745
Wt: 313.3
BDBM86747
Wt: 327.4
BDBM86737
Wt: 375.4
BDBM50275884
Wt: 313.3
BDBM50415917
Wt: 313.3
BDBM50415918
Wt: 411.4
BDBM50413172
Wt: 411.4
BDBM50413176
Wt: 393.4
BDBM50413178
Wt: 444.3
BDBM50413179
Wt: 533.2
BDBM50413180
Wt: 313.3
BDBM50413185

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 86745,86747,86737,50275884,50415917,50415918,50413172,50413176,50413178,50413179,50413180,50413185   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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21n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86745
PNG
(UR-AK51)
Show SMILES NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C16H21N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H3,17,19,21,22)
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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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56n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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67n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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72n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86745
PNG
(UR-AK51)
Show SMILES NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C16H21N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H3,17,19,21,22)
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100n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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440n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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2.90E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 1262-8 (2006)


Article DOI: 10.1124/jpet.106.102897
BindingDB Entry DOI: 10.7270/Q2X63KHZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413179
PNG
(CHEMBL472054)
Show SMILES NC(NC(=O)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H23Cl2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)
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n/an/an/an/a 309n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413180
PNG
(CHEMBL472271)
Show SMILES NC(NC(=O)CC(c1ccc(Br)cc1)c1ccc(Br)cc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H23Br2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)
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n/an/an/an/a 776n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86745
PNG
(UR-AK51)
Show SMILES NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C16H21N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H3,17,19,21,22)
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n/an/an/an/a 166n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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n/an/an/an/a 56.2n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86745
PNG
(UR-AK51)
Show SMILES NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C16H21N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H3,17,19,21,22)
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n/an/an/a 2.14E+3n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413185
PNG
(CHEMBL449828)
Show SMILES CC(CCN=C(N)NC(=O)CCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-5-3-2-4-6-14)9-10-20-17(18)22-16(23)8-7-15-11-19-12-21-15/h2-6,11-13H,7-10H2,1H3,(H,19,21)(H3,18,20,22,23)
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n/an/an/an/a 6.46E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as inhibition of histamine-induced positive ch...


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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n/an/an/a 1.82E+3n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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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 histamine H2 receptor in spontaneously beating guinea pig atrium


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 93.3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in spontaneously beating guinea pig atrium


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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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 GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 79.4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at GsalphaS-fused human histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 75.9n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 24.0n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 6.17E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 832n/an/an/an/a



University of Regensburg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 45.7n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 and RGS4 by steady-state GTPase activit...


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 1.86n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H3 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 and RGS4 by steady-state GTPase activit...


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 22.9n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant GAIP-fused histamine H4 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 by steady-state GTPase activ...


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 2.63n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant GAIP-fused histamine H4 receptor expressed in Sf9 cells coexpressing Galphai, Gbeta1gamma2 by steady-state GTPase activ...


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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n/an/an/an/a 28.2n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413176
PNG
(CHEMBL513883)
Show SMILES NC(NC(=O)CC(c1ccc(F)cc1)c1ccc(F)cc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H23F2N5O/c23-17-7-3-15(4-8-17)20(16-5-9-18(24)10-6-16)12-21(30)29-22(25)27-11-1-2-19-13-26-14-28-19/h3-10,13-14,20H,1-2,11-12H2,(H,26,28)(H3,25,27,29,30)
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n/an/an/an/a 204n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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n/an/an/a 741n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413172
PNG
(CHEMBL512716)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccc(F)c(F)c1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H23F2N5O/c23-19-9-8-16(11-20(19)24)18(15-5-2-1-3-6-15)12-21(30)29-22(25)27-10-4-7-17-13-26-14-28-17/h1-3,5-6,8-9,11,13-14,18H,4,7,10,12H2,(H,26,28)(H3,25,27,29,30)
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n/an/an/an/a 53.7n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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n/an/an/a 562n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor in guinea pig ileum assessed as inhibition of histamine-induced positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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n/an/an/an/a 468n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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n/an/an/an/a 8.60n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H4 receptor-RGS4 fusion protein expressed in Sf9 cells coexpressing Galphai2 and G-beta-1-gamma-2 by steady-s...


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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n/an/an/an/a 6n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at guinea pig recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50275884
PNG
(CHEMBL471413 | N1-(3,3-Diphenylpropanoyl)-N2-[3-(1...)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H25N5O/c23-22(25-13-7-12-19-15-24-16-26-19)27-21(28)14-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,15-16,20H,7,12-14H2,(H,24,26)(H3,23,25,27,28)
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n/an/an/an/a 78n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H2 receptor-Gsalpha fusion protein expressed in Sf9 cells by steady-state GTPase activity assay


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50413178
PNG
(CHEMBL469749)
Show SMILES NC(NC(=O)CC(c1ccccc1)c1ccc(F)cc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H24FN5O/c23-18-10-8-17(9-11-18)20(16-5-2-1-3-6-16)13-21(29)28-22(24)26-12-4-7-19-14-25-15-27-19/h1-3,5-6,8-11,14-15,20H,4,7,12-13H2,(H,25,27)(H3,24,26,28,29)
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n/an/an/an/a 55.0n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair