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4 similar compounds to monomer 50394703

Compile data set for download or QSAR
Wt: 761.1
BDBM50394695
Wt: 578.7
BDBM50394709
Wt: 365.5
BDBM50415919
Wt: 365.5
BDBM50415921

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50394695,50394709,50415919,50415921   
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))
BDBM50394695
PNG
(CHEMBL2165635)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(N)=NCCCc1sc(N)nc1C
Show InChI InChI=1S/C38H68N10O2S2/c1-29-31(51-37(41)45-29)23-21-27-43-35(39)47-33(49)25-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26-34(50)48-36(40)44-28-22-24-32-30(2)46-38(42)52-32/h3-28H2,1-2H3,(H2,41,45)(H2,42,46)(H3,39,43,47,49)(H3,40,44,48,50)
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n/an/an/an/a 7.94E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at H2R in spontaneously beating guinea pig right atrium assessed as increase in heart rate


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 69.2n/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))
BDBM50394695
PNG
(CHEMBL2165635)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(N)=NCCCc1sc(N)nc1C
Show InChI InChI=1S/C38H68N10O2S2/c1-29-31(51-37(41)45-29)23-21-27-43-35(39)47-33(49)25-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-26-34(50)48-36(40)44-28-22-24-32-30(2)46-38(42)52-32/h3-28H2,1-2H3,(H2,41,45)(H2,42,46)(H3,39,43,47,49)(H3,40,44,48,50)
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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 guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50394709
PNG
(CHEMBL2165645)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1
Show InChI InChI=1S/C25H42N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h16H,2-15H2,1H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)
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n/an/an/an/a 13.8n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 91.2n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 9.33n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a 20.4n/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


(Homo sapiens (Human))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 28.8n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 7.59n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a 13.2n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 14.1n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 4.47E+3n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 2.75E+3n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a 6.03E+3n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/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))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.38E+3n/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))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 57.5n/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))
BDBM50394709
PNG
(CHEMBL2165645)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1
Show InChI InChI=1S/C25H42N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h16H,2-15H2,1H3,(H2,28,32)(H2,29,33)(H3,26,30,34,36)(H3,27,31,35,37)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.47n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at guinea pig H2R-Gsalphas expressed in Sf9 cells at 0.1 nM to 10 uM by steady state GTPase activity assay


J Med Chem 55: 1147-60 (2012)


Article DOI: 10.1021/jm201128q
BindingDB Entry DOI: 10.7270/Q2HQ411W
More data for this
Ligand-Target Pair