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Compile Data Set for Download or QSAR

Found 214 hits of ec50 data for polymerid = 2298,2980,49000664   
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


(Homo sapiens (Human))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127604
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H2 receptor using [3H]-tiotidine


J Med Chem 46: 1980-8 (2003)

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)

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)

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
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)

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
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)

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
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)

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)

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)

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)

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)

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
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)

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)

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
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)

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)

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)

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)

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)

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)

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)
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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)

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
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)

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)

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
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)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50415915
PNG
(CHEMBL1096431)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1
Show InChI InChI=1S/C17H29N5O/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/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 6.46n/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)

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)

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
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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415915
PNG
(CHEMBL1096431)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1
Show InChI InChI=1S/C17H29N5O/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/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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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 GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


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

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415920
PNG
(CHEMBL1098442)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1
Show InChI InChI=1S/C18H25N5OS/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/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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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 GsalphaS-fused guinea pig histamine H2 receptor expressed in Sf9 cells by [35S]GTPgammaS binding assay


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

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86171
PNG
(ARPROMIDINE | Arpromidine | CAS_65895 | NSC_65895)
Show SMILES NC(NCCCc1cnc[nH]1)=NCCC(c1ccc(F)cc1)c1ccccn1
Show InChI InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
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n/an/an/an/a 9.77n/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)

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
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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50377986
PNG
(CHEMBL483406 | UR-AK24)
Show SMILES CC(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)
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n/an/an/an/a 12n/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)

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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50275983
PNG
(CHEMBL472441 | N1-[3-(1H-Imidazol-4-yl)propyl]-N2-...)
Show SMILES NC(NC(=O)CC(c1nccs1)c1ccccc1)=NCCCc1cnc[nH]1
Show InChI InChI=1S/C19H22N6OS/c20-19(23-8-4-7-15-12-21-13-24-15)25-17(26)11-16(18-22-9-10-27-18)14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,16H,4,7-8,11H2,(H,21,24)(H3,20,23,25,26)
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n/an/an/an/a 14n/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)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50377986
PNG
(CHEMBL483406 | UR-AK24)
Show SMILES CC(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)
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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 histamine H2 receptor in guinea pig spontaneously beating right atrium assessed as positive chronotropic activity


J Med Chem 51: 7193-204 (2009)

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
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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50377986
PNG
(CHEMBL483406 | UR-AK24)
Show SMILES CC(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)
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n/an/an/an/a 16n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H2 receptor in guinea pig atrium assessed as increase in heart rate


J Med Chem 52: 2623-7 (2009)

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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415914
PNG
(CHEMBL1098441)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1
Show InChI InChI=1S/C18H25N5OS/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/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a 17.0n/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)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50415916
PNG
(CHEMBL1096430)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1
Show InChI InChI=1S/C17H29N5O/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/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 18.6n/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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50415916
PNG
(CHEMBL1096430)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1
Show InChI InChI=1S/C17H29N5O/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/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 19.1n/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)

More data for this
Ligand-Target Pair
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