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PubMed code 22216892

Compile data set for download or QSAR
Found 66 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))
BDBM50394705
PNG
(CHEMBL2165643)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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n/an/an/an/a 339n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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))
BDBM50394711
PNG
(CHEMBL2165638)
Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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n/an/an/an/a 58.9n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394713
PNG
(CHEMBL2165636)
Show SMILES NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:26.27,16.16|
Show InChI InChI=1S/C22H36N10O2S2/c23-19(27-11-5-7-15-13-29-21(25)35-15)31-17(33)9-3-1-2-4-10-18(34)32-20(24)28-12-6-8-16-14-30-22(26)36-16/h13-14H,1-12H2,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 1.35n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394697
PNG
(CHEMBL2165633)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)
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n/an/an/an/a 275n/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 H4 receptor


(Homo sapiens (Human))
BDBM50394694
PNG
(CHEMBL2165642)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 8.51n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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 receptor (H3)


(Homo sapiens (Human))
BDBM50394704
PNG
(CHEMBL2165644)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:39.40|
Show InChI InChI=1S/C36H64N10O2/c37-35(41-25-19-21-31-27-39-29-43-31)45-33(47)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-34(48)46-36(38)42-26-20-22-32-28-40-30-44-32/h27-30H,1-26H2,(H,39,43)(H,40,44)(H3,37,41,45,47)(H3,38,42,46,48)
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n/an/an/an/a 447n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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))
BDBM50394704
PNG
(CHEMBL2165644)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:39.40|
Show InChI InChI=1S/C36H64N10O2/c37-35(41-25-19-21-31-27-39-29-43-31)45-33(47)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-34(48)46-36(38)42-26-20-22-32-28-40-30-44-32/h27-30H,1-26H2,(H,39,43)(H,40,44)(H3,37,41,45,47)(H3,38,42,46,48)
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n/an/an/an/a 34.7n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394712
PNG
(CHEMBL2165637)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:28.29|
Show InChI InChI=1S/C24H40N10O2S2/c25-21(29-13-7-9-17-15-31-23(27)37-17)33-19(35)11-5-3-1-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h15-16H,1-14H2,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 5.01n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394697
PNG
(CHEMBL2165633)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)
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n/an/an/an/a 2.69n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394714
PNG
(CHEMBL2165646)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1 |w:10.10|
Show InChI InChI=1S/C17H23N5OS/c1-12-14(24-17(19)21-12)8-5-11-20-16(18)22-15(23)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,21)(H3,18,20,22,23)
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n/an/an/an/a 15.8n/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))
BDBM50394708
PNG
(CHEMBL2165629)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1nnc[nH]1)=NCCCc1nnc[nH]1 |w:27.28,18.18|
Show InChI InChI=1S/C22H38N12O2/c23-21(25-13-7-9-17-27-15-29-33-17)31-19(35)11-5-3-1-2-4-6-12-20(36)32-22(24)26-14-8-10-18-28-16-30-34-18/h15-16H,1-14H2,(H,27,29,33)(H,28,30,34)(H3,23,25,31,35)(H3,24,26,32,36)
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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 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 |w:10.10,29.30|
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


(Homo sapiens (Human))
BDBM50394694
PNG
(CHEMBL2165642)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 6.17n/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))
BDBM50394698
PNG
(CHEMBL2165632)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)
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n/an/an/an/a 0.390n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394709
PNG
(CHEMBL2165645)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1 |w:10.10,29.30|
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 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
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50394707
PNG
(CHEMBL2165640)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C20H32N10O2/c21-19(25-9-3-5-15-11-23-13-27-15)29-17(31)7-1-2-8-18(32)30-20(22)26-10-4-6-16-12-24-14-28-16/h11-14H,1-10H2,(H,23,27)(H,24,28)(H3,21,25,29,31)(H3,22,26,30,32)
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n/an/an/an/a 11.0n/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))
BDBM50394705
PNG
(CHEMBL2165643)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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n/an/an/an/a 24.6n/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


(Homo sapiens (Human))
BDBM50394700
PNG
(CHEMBL2165630)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C24H40N10O2S2/c1-15-17(37-23(27)31-15)9-7-13-29-21(25)33-19(35)11-5-3-4-6-12-20(36)34-22(26)30-14-8-10-18-16(2)32-24(28)38-18/h3-14H2,1-2H3,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 47.9n/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))
BDBM50394699
PNG
(CHEMBL2165631)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(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 0.832n/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 H4 receptor


(Homo sapiens (Human))
BDBM50394704
PNG
(CHEMBL2165644)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:39.40|
Show InChI InChI=1S/C36H64N10O2/c37-35(41-25-19-21-31-27-39-29-43-31)45-33(47)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-34(48)46-36(38)42-26-20-22-32-28-40-30-44-32/h27-30H,1-26H2,(H,39,43)(H,40,44)(H3,37,41,45,47)(H3,38,42,46,48)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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 H4 receptor


(Homo sapiens (Human))
BDBM50394707
PNG
(CHEMBL2165640)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C20H32N10O2/c21-19(25-9-3-5-15-11-23-13-27-15)29-17(31)7-1-2-8-18(32)30-20(22)26-10-4-6-16-12-24-14-28-16/h11-14H,1-10H2,(H,23,27)(H,24,28)(H3,21,25,29,31)(H3,22,26,30,32)
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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 human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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 receptor (H3)


(Homo sapiens (Human))
BDBM50394705
PNG
(CHEMBL2165643)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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 receptor (H3)


(Homo sapiens (Human))
BDBM50394694
PNG
(CHEMBL2165642)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 1.78n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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 receptor (H3)


(Homo sapiens (Human))
BDBM50394706
PNG
(CHEMBL2165641)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 4.17n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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))
BDBM50394699
PNG
(CHEMBL2165631)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(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 2.75n/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))
BDBM50394706
PNG
(CHEMBL2165641)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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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 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


(Homo sapiens (Human))
BDBM50394707
PNG
(CHEMBL2165640)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C20H32N10O2/c21-19(25-9-3-5-15-11-23-13-27-15)29-17(31)7-1-2-8-18(32)30-20(22)26-10-4-6-16-12-24-14-28-16/h11-14H,1-10H2,(H,23,27)(H,24,28)(H3,21,25,29,31)(H3,22,26,30,32)
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n/an/an/an/a 214n/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


(Homo sapiens (Human))
BDBM50394712
PNG
(CHEMBL2165637)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:28.29|
Show InChI InChI=1S/C24H40N10O2S2/c25-21(29-13-7-9-17-15-31-23(27)37-17)33-19(35)11-5-3-1-2-4-6-12-20(36)34-22(26)30-14-8-10-18-16-32-24(28)38-18/h15-16H,1-14H2,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 21.4n/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


(Homo sapiens (Human))
BDBM50394697
PNG
(CHEMBL2165633)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C28H48N10O2S2/c1-19-21(41-27(31)35-19)13-11-17-33-25(29)37-23(39)15-9-7-5-3-4-6-8-10-16-24(40)38-26(30)34-18-12-14-22-20(2)36-28(32)42-22/h3-18H2,1-2H3,(H2,31,35)(H2,32,36)(H3,29,33,37,39)(H3,30,34,38,40)
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n/an/an/an/a 16.6n/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


(Homo sapiens (Human))
BDBM50394698
PNG
(CHEMBL2165632)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)
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n/an/an/an/a 7.76n/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


(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 1.26E+3n/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))
BDBM50394695
PNG
(CHEMBL2165635)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(N)=NCCCc1sc(N)nc1C |w:41.42|
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))
BDBM50394700
PNG
(CHEMBL2165630)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C24H40N10O2S2/c1-15-17(37-23(27)31-15)9-7-13-29-21(25)33-19(35)11-5-3-4-6-12-20(36)34-22(26)30-14-8-10-18-16(2)32-24(28)38-18/h3-14H2,1-2H3,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 0.245n/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))
BDBM50394700
PNG
(CHEMBL2165630)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C24H40N10O2S2/c1-15-17(37-23(27)31-15)9-7-13-29-21(25)33-19(35)11-5-3-4-6-12-20(36)34-22(26)30-14-8-10-18-16(2)32-24(28)38-18/h3-14H2,1-2H3,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 0.630n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50394707
PNG
(CHEMBL2165640)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C20H32N10O2/c21-19(25-9-3-5-15-11-23-13-27-15)29-17(31)7-1-2-8-18(32)30-20(22)26-10-4-6-16-12-24-14-28-16/h11-14H,1-10H2,(H,23,27)(H,24,28)(H3,21,25,29,31)(H3,22,26,30,32)
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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 H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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))
BDBM50394706
PNG
(CHEMBL2165641)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 3.24n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394698
PNG
(CHEMBL2165632)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)
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n/an/an/an/a 1n/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))
BDBM50394701
PNG
(CHEMBL2165647)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C22H36N10O2S2/c1-13-15(35-21(25)29-13)7-5-11-27-19(23)31-17(33)9-3-4-10-18(34)32-20(24)28-12-6-8-16-14(2)30-22(26)36-16/h3-12H2,1-2H3,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 57.5n/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


(Homo sapiens (Human))
BDBM22881
PNG
(5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine | Am...)
Show SMILES Cc1nc(N)sc1CCN
Show InChI InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
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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 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))
BDBM50394694
PNG
(CHEMBL2165642)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 0.603n/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))
BDBM50394698
PNG
(CHEMBL2165632)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C26H44N10O2S2/c1-17-19(39-25(29)33-17)11-9-15-31-23(27)35-21(37)13-7-5-3-4-6-8-14-22(38)36-24(28)32-16-10-12-20-18(2)34-26(30)40-20/h3-16H2,1-2H3,(H2,29,33)(H2,30,34)(H3,27,31,35,37)(H3,28,32,36,38)
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n/an/an/an/a 1.17n/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))
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 1.00E+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))
BDBM50394705
PNG
(CHEMBL2165643)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:33.34|
Show InChI InChI=1S/C30H52N10O2/c31-29(35-19-13-15-25-21-33-23-37-25)39-27(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-28(42)40-30(32)36-20-14-16-26-22-34-24-38-26/h21-24H,1-20H2,(H,33,37)(H,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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n/an/an/an/a 19.9n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394701
PNG
(CHEMBL2165647)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C22H36N10O2S2/c1-13-15(35-21(25)29-13)7-5-11-27-19(23)31-17(33)9-3-4-10-18(34)32-20(24)28-12-6-8-16-14(2)30-22(26)36-16/h3-12H2,1-2H3,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 2.57n/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


(Cavia porcellus (domestic guinea pig))
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 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))
BDBM50394713
PNG
(CHEMBL2165636)
Show SMILES NC(NC(=O)CCCCCCC(=O)NC(N)=NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:26.27,16.16|
Show InChI InChI=1S/C22H36N10O2S2/c23-19(27-11-5-7-15-13-29-21(25)35-15)31-17(33)9-3-1-2-4-10-18(34)32-20(24)28-12-6-8-16-14-30-22(26)36-16/h13-14H,1-12H2,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 30.9n/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))
BDBM50394701
PNG
(CHEMBL2165647)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C22H36N10O2S2/c1-13-15(35-21(25)29-13)7-5-11-27-19(23)31-17(33)9-3-4-10-18(34)32-20(24)28-12-6-8-16-14(2)30-22(26)36-16/h3-12H2,1-2H3,(H2,25,29)(H2,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 2.57n/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))
BDBM50394703
PNG
(CHEMBL2165628)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(H3,26,30,34,36)(H3,27,31,35,37)
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n/an/an/an/a 0.510n/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 H4 receptor


(Homo sapiens (Human))
BDBM50394703
PNG
(CHEMBL2165628)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(H3,26,30,34,36)(H3,27,31,35,37)
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n/an/an/an/a 8.51n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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 H4 receptor


(Homo sapiens (Human))
BDBM50394706
PNG
(CHEMBL2165641)
Show SMILES N=C(NCCCc1cnc[nH]1)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1
Show InChI InChI=1S/C22H36N10O2/c23-21(27-11-5-7-17-13-25-15-29-17)31-19(33)9-3-1-2-4-10-20(34)32-22(24)28-12-6-8-18-14-26-16-30-18/h13-16H,1-12H2,(H,25,29)(H,26,30)(H3,23,27,31,33)(H3,24,28,32,34)
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n/an/an/an/a 41.7n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H4R-RGS19 Galphai2 Gbeta1gamma2 expressed in Sf9 cells at 0.1 nM to 1 mM 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))
BDBM50394694
PNG
(CHEMBL2165642)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(=N)NCCCc1cnc[nH]1)=NCCCc1cnc[nH]1 |w:27.28|
Show InChI InChI=1S/C24H40N10O2/c25-23(29-13-7-9-19-15-27-17-31-19)33-21(35)11-5-3-1-2-4-6-12-22(36)34-24(26)30-14-8-10-20-16-28-18-32-20/h15-18H,1-14H2,(H,27,31)(H,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 1.15n/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


(Cavia porcellus (domestic guinea pig))
BDBM22881
PNG
(5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine | Am...)
Show SMILES Cc1nc(N)sc1CCN
Show InChI InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
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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 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))
BDBM50394703
PNG
(CHEMBL2165628)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(H3,26,30,34,36)(H3,27,31,35,37)
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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 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


(Homo sapiens (Human))
BDBM50394696
PNG
(CHEMBL2165634)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C32H56N10O2S2/c1-23-25(45-31(35)39-23)17-15-21-37-29(33)41-27(43)19-13-11-9-7-5-3-4-6-8-10-12-14-20-28(44)42-30(34)38-22-16-18-26-24(2)40-32(36)46-26/h3-22H2,1-2H3,(H2,35,39)(H2,36,40)(H3,33,37,41,43)(H3,34,38,42,44)
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n/an/an/an/a 25.7n/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


(Homo sapiens (Human))
BDBM50394699
PNG
(CHEMBL2165631)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C25H42N10O2S2/c1-16-18(38-24(28)32-16)10-8-14-30-22(26)34-20(36)12-6-4-3-5-7-13-21(37)35-23(27)31-15-9-11-19-17(2)33-25(29)39-19/h3-15H2,1-2H3,(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 44.7n/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))
BDBM50394696
PNG
(CHEMBL2165634)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C32H56N10O2S2/c1-23-25(45-31(35)39-23)17-15-21-37-29(33)41-27(43)19-13-11-9-7-5-3-4-6-8-10-12-14-20-28(44)42-30(34)38-22-16-18-26-24(2)40-32(36)46-26/h3-22H2,1-2H3,(H2,35,39)(H2,36,40)(H3,33,37,41,43)(H3,34,38,42,44)
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n/an/an/an/a 550n/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))
BDBM22881
PNG
(5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine | Am...)
Show SMILES Cc1nc(N)sc1CCN
Show InChI InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
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n/an/an/an/a 617n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50394703
PNG
(CHEMBL2165628)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(H3,26,30,34,36)(H3,27,31,35,37)
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n/an/an/an/a 2.88n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H3R-Galphai2-Gbeta1gamma2-RGS4 expressed in Sf9 cells 0.1 nM to 1 mM 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))
BDBM50394708
PNG
(CHEMBL2165629)
Show SMILES NC(NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1nnc[nH]1)=NCCCc1nnc[nH]1 |w:27.28,18.18|
Show InChI InChI=1S/C22H38N12O2/c23-21(25-13-7-9-17-27-15-29-33-17)31-19(35)11-5-3-1-2-4-6-12-20(36)32-22(24)26-14-8-10-18-28-16-30-34-18/h15-16H,1-14H2,(H,27,29,33)(H,28,30,34)(H3,23,25,31,35)(H3,24,26,32,36)
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n/an/an/an/a 10.2n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394703
PNG
(CHEMBL2165628)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCCCCCCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:10.10,29.30|
Show InChI InChI=1S/C25H42N10O2S/c1-18-20(38-25(28)33-18)11-9-15-31-24(27)35-22(37)13-7-5-3-2-4-6-12-21(36)34-23(26)30-14-8-10-19-16-29-17-32-19/h16-17H,2-15H2,1H3,(H2,28,33)(H,29,32)(H3,26,30,34,36)(H3,27,31,35,37)
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n/an/an/an/a 0.513n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394710
PNG
(CHEMBL2165639)
Show SMILES NC(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1cnc(N)s1)=NCCCc1cnc(N)s1 |w:40.41|
Show InChI InChI=1S/C36H64N10O2S2/c37-33(41-25-19-21-29-27-43-35(39)49-29)45-31(47)23-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-24-32(48)46-34(38)42-26-20-22-30-28-44-36(40)50-30/h27-28H,1-26H2,(H2,39,43)(H2,40,44)(H3,37,41,45,47)(H3,38,42,46,48)
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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 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


(Cavia porcellus (domestic guinea pig))
BDBM50394695
PNG
(CHEMBL2165635)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)NC(N)=NCCCc1sc(N)nc1C |w:41.42|
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


(Cavia porcellus (domestic guinea pig))
BDBM50394696
PNG
(CHEMBL2165634)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C32H56N10O2S2/c1-23-25(45-31(35)39-23)17-15-21-37-29(33)41-27(43)19-13-11-9-7-5-3-4-6-8-10-12-14-20-28(44)42-30(34)38-22-16-18-26-24(2)40-32(36)46-26/h3-22H2,1-2H3,(H2,35,39)(H2,36,40)(H3,33,37,41,43)(H3,34,38,42,44)
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n/an/an/an/a 34.7n/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


(Cavia porcellus (domestic guinea pig))
BDBM50394700
PNG
(CHEMBL2165630)
Show SMILES Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCC(=O)NC(=N)NCCCc1sc(N)nc1C
Show InChI InChI=1S/C24H40N10O2S2/c1-15-17(37-23(27)31-15)9-7-13-29-21(25)33-19(35)11-5-3-4-6-12-20(36)34-22(26)30-14-8-10-18-16(2)32-24(28)38-18/h3-14H2,1-2H3,(H2,27,31)(H2,28,32)(H3,25,29,33,35)(H3,26,30,34,36)
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n/an/an/an/a 0.631n/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))
BDBM50394711
PNG
(CHEMBL2165638)
Show SMILES Nc1ncc(CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)NC(=N)NCCCc2cnc(N)s2)s1
Show InChI InChI=1S/C30H52N10O2S2/c31-27(35-19-13-15-23-21-37-29(33)43-23)39-25(41)17-11-9-7-5-3-1-2-4-6-8-10-12-18-26(42)40-28(32)36-20-14-16-24-22-38-30(34)44-24/h21-22H,1-20H2,(H2,33,37)(H2,34,38)(H3,31,35,39,41)(H3,32,36,40,42)
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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 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


(Homo sapiens (Human))
BDBM50394714
PNG
(CHEMBL2165646)
Show SMILES Cc1nc(N)sc1CCCN=C(N)NC(=O)CCc1ccccc1 |w:10.10|
Show InChI InChI=1S/C17H23N5OS/c1-12-14(24-17(19)21-12)8-5-11-20-16(18)22-15(23)10-9-13-6-3-2-4-7-13/h2-4,6-7H,5,8-11H2,1H3,(H2,19,21)(H3,18,20,22,23)
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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 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
* indicates data uncertainty>20%