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Compile Data Set for Download or QSAR

Found 985 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor'   
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 H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81543
PNG
(Alpha-Dimethylhistane-alpha | CAS_195960 | NSC_195...)
Show SMILES CNC(C)Cc1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)
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0.200n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Biochem Soc Trans 20: 122-5 (1992)


Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81541
PNG
(CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...)
Show SMILES CC(N)C(C)c1cnc[nH]1
Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)
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0.200n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Biochem Soc Trans 20: 122-5 (1992)


Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406642
PNG
(CHEMBL72193)
Show SMILES Nc1ccc(cc1I)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:33.36|
Show InChI InChI=1S/C26H34IN7O2/c27-23-17-21(8-9-24(23)29)25(35)30-11-12-32-26(33-19-28)31-10-5-15-36-22-7-4-6-20(16-22)18-34-13-2-1-3-14-34/h4,6-9,16-17H,1-3,5,10-15,18,29H2,(H,30,35)(H2,31,32,33)
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0.708n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81542
PNG
(Beta-Methylhistamine | CAS_565544 | NSC_565544)
Show SMILES CC(CN)c1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)
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0.900n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Biochem Soc Trans 20: 122-5 (1992)


Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r|
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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1n/an/an/an/an/an/an/an/a



Queen's Medical Centre

Curated by PDSP Ki Database




Biochem Soc Trans 20: 122-5 (1992)


Article DOI: 10.1042/bst0200122
BindingDB Entry DOI: 10.7270/Q2RX99KH
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50253754
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N-m...)
Show SMILES CNC(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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1.70n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Displacement of [3H]tiotidine from human histamine H2 receptor


J Med Chem 51: 6034-43 (2008)


Article DOI: 10.1021/jm800510m
BindingDB Entry DOI: 10.7270/Q2BV7GFM
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406643
PNG
(CHEMBL73994)
Show SMILES Ic1cccc(c1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35|
Show InChI InChI=1S/C26H33IN6O2/c27-23-9-5-8-22(18-23)25(34)29-12-13-31-26(32-20-28)30-11-6-16-35-24-10-4-7-21(17-24)19-33-14-2-1-3-15-33/h4-5,7-10,17-18H,1-3,6,11-16,19H2,(H,29,34)(H2,30,31,32)
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2.60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404821
PNG
(CHEMBL306465)
Show SMILES Nc1ns(=O)nc1NCCCOc1cccc(CN2CCCCC2)c1
Show InChI InChI=1S/C17H25N5O2S/c18-16-17(21-25(23)20-16)19-8-5-11-24-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12H,1-3,5,8-11,13H2,(H2,18,20)(H,19,21)
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h...


J Med Chem 25: 207-10 (1982)


BindingDB Entry DOI: 10.7270/Q2HH6M8R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50315205
PNG
((R)-2-(6-fluoro-3-(1-(3-methoxypyrazin-2-yl)ethyl)...)
Show SMILES COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|
Show InChI InChI=1S/C20H24FN3O/c1-13(19-20(25-4)23-9-8-22-19)18-14(7-10-24(2)3)11-15-12-16(21)5-6-17(15)18/h5-6,8-9,12-13H,7,10-11H2,1-4H3/t13-/m1/s1
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4.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of H2 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229612
PNG
(CHEMBL304608)
Show SMILES Ic1cccc(c1)C(=O)NCC\N=C(\NCCCCOc1cccc(CN2CCCCC2)c1)NC#N
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5.20n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50229613
PNG
(ICI-125211 | TIOTIDINE | Tiotidine)
Show SMILES [#6]\[#7]=[#6](\[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](/[#7])-[#7])n1)-[#7]C#N
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5.60n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445613
PNG
(ASENAPINE MALEATE | Asenapine maleate | CHEBI:7124...)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r|
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
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5.70n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445613
PNG
(ASENAPINE MALEATE | Asenapine maleate | CHEBI:7124...)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21 |r|
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404823
PNG
(CHEMBL63299)
Show SMILES CN(C)Cc1ccc(CSCCNC2=NS(=O)(=O)NC2=N)o1 |t:13|
Show InChI InChI=1S/C12H19N5O3S2/c1-17(2)7-9-3-4-10(20-9)8-21-6-5-14-12-11(13)15-22(18,19)16-12/h3-4H,5-8H2,1-2H3,(H2,13,15)(H,14,16)
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h...


J Med Chem 25: 207-10 (1982)


BindingDB Entry DOI: 10.7270/Q2HH6M8R
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50404822
PNG
(CHEMBL8982)
Show SMILES CN(C)Cc1ccc(CSCCNc2ns(=O)nc2N)o1
Show InChI InChI=1S/C12H19N5O2S2/c1-17(2)7-9-3-4-10(19-9)8-20-6-5-14-12-11(13)15-21(18)16-12/h3-4H,5-8H2,1-2H3,(H2,13,15)(H,14,16)
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6.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of Histamine H2 receptor by measuring its ability to block the histamine-stimulated adenylate cyclase of guinea pig hippocampal h...


J Med Chem 25: 207-10 (1982)


BindingDB Entry DOI: 10.7270/Q2HH6M8R
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86740
PNG
(UR-AK24 | UR-AK57)
Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
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)
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9n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM50406645
PNG
(AMINOPOTENTIDINE)
Show SMILES Nc1ccc(cc1)C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:32.35|
Show InChI InChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32)
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9.80n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
muscarinic acetylcholine receptor M3-antagonistic activity on the isolated guinea pig ileum determined by Schild plot.


J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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12n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50406644
PNG
(CHEMBL307952)
Show SMILES Ic1cc(ccc1N=[N+]=[N-])C(=O)NCCNC(NCCCOc1cccc(CN2CCCCC2)c1)=NC#N |w:35.38|
Show InChI InChI=1S/C26H32IN9O2/c27-23-17-21(8-9-24(23)34-35-29)25(37)30-11-12-32-26(33-19-28)31-10-5-15-38-22-7-4-6-20(16-22)18-36-13-2-1-3-14-36/h4,6-9,16-17H,1-3,5,10-15,18H2,(H,30,37)(H2,31,32,33)
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12n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86740
PNG
(UR-AK24 | UR-AK57)
Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
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)
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12n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86742
PNG
(UR-AK64)
Show SMILES NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23)
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16n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(RAT)
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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17n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Italia

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)


Article DOI: 10.1007/bf00168557
BindingDB Entry DOI: 10.7270/Q2Q52N48
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM22568
PNG
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)
Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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18n/an/an/an/an/an/an/an/a



Broad Institute of MIT and Harvard

Curated by ChEMBL


Assay Description
Displacement of [125I]Aminopotentidine from human recombinant histamine H2 receptor expressed in CHOK1 cells after 2 hrs


Bioorg Med Chem Lett 23: 1834-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.025
BindingDB Entry DOI: 10.7270/Q2P55PWC
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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21n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86738
PNG
(UR-AK46)
Show SMILES NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12|
Show InChI InChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20)
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21n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86743
PNG
(UR-AK49)
Show SMILES NC(NC(=O)CCC1CCCCC1)=NCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C16H27N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h11-13H,1-10H2,(H,18,20)(H3,17,19,21,22)
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22n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86742
PNG
(UR-AK64)
Show SMILES NC(NC(=O)CCCC1CCCCC1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H29N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h12-14H,1-11H2,(H,19,21)(H3,18,20,22,23)
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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86745
PNG
(UR-AK51)
Show SMILES NC(NC(=O)CCc1ccccc1)=NCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C16H21N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H,18,20)(H3,17,19,21,22)
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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86740
PNG
(UR-AK24 | UR-AK57)
Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
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)
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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1 |w:12.13|
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86736
PNG
(UR-AK68)
Show SMILES CC(C(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:7.7|
Show InChI InChI=1S/C16H21N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,20)(H3,17,19,21,22)
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29n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM22568
PNG
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)
Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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32n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated in vitro for Histamine H2 receptor inhibition using the dimaprit stimulated chronotropic response of the guinea pig atrium


J Med Chem 26: 140-4 (1983)


BindingDB Entry DOI: 10.7270/Q2R212KZ
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22568
PNG
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)
Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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34n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86741
PNG
(UR-AK59)
Show SMILES CC(C1CCCCC1)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C16H27N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h10-13H,2-9H2,1H3,(H,18,20)(H3,17,19,21,22)
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37n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86738
PNG
(UR-AK46)
Show SMILES NC(NC(=O)C1CCCCC1)=NCCCc1cnc[nH]1 |w:11.12|
Show InChI InChI=1S/C14H23N5O/c15-14(17-8-4-7-12-9-16-10-18-12)19-13(20)11-5-2-1-3-6-11/h9-11H,1-8H2,(H,16,18)(H3,15,17,19,20)
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38n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86743
PNG
(UR-AK49)
Show SMILES NC(NC(=O)CCC1CCCCC1)=NCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C16H27N5O/c17-16(19-10-4-7-14-11-18-12-20-14)21-15(22)9-8-13-5-2-1-3-6-13/h11-13H,1-10H2,(H,18,20)(H3,17,19,21,22)
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46n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM50103506
PNG
(RANITIDINE | Ranitidine | Tritec | Zantac)
Show SMILES CNC(NCCSCc1ccc(CN(C)C)o1)=C[N+]([O-])=O
Show InChI InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+
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54n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL




J Med Chem 35: 2231-8 (1992)


BindingDB Entry DOI: 10.7270/Q23T9JFP
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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56n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86744
PNG
(UR-AK62)
Show SMILES NC(NC(=O)CC1CCCCC1)=NCCCc1cnc[nH]1 |w:12.13|
Show InChI InChI=1S/C15H25N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h10-12H,1-9H2,(H,17,19)(H3,16,18,20,21)
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62n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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63n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86747
PNG
(UR-AK67)
Show SMILES NC(NC(=O)CCCc1ccccc1)=NCCCc1cnc[nH]1 |w:14.15|
Show InChI InChI=1S/C17H23N5O/c18-17(20-11-5-9-15-12-19-13-21-15)22-16(23)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,19,21)(H3,18,20,22,23)
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67n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86740
PNG
(UR-AK24 | UR-AK57)
Show SMILES CC(CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |w:8.8|
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)
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67n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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70n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50403559
PNG
(Brumetadina | CIMETIDINE)
Show SMILES CNC(NCCSCc1[nH]cnc1C)=NC#N |w:14.15|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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71n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86737
PNG
(UR-AK22)
Show SMILES NC(NC(=O)CCCCc1ccccc1)=NCCCc1cnc[nH]1 |w:15.16|
Show InChI InChI=1S/C18H25N5O/c19-18(21-12-6-10-16-13-20-14-22-16)23-17(24)11-5-4-9-15-7-2-1-3-8-15/h1-3,7-8,13-14H,4-6,9-12H2,(H,20,22)(H3,19,21,23,24)
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72n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM86736
PNG
(UR-AK68)
Show SMILES CC(C(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |w:7.7|
Show InChI InChI=1S/C16H21N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,18,20)(H3,17,19,21,22)
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75n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Cavia porcellus (domestic guinea pig))
BDBM86735
PNG
(UR-AK26)
Show SMILES NC(NC(=O)Cc1ccccc1)=NCCCc1cnc[nH]1 |w:12.13|
Show InChI InChI=1S/C15H19N5O/c16-15(18-8-4-7-13-10-17-11-19-13)20-14(21)9-12-5-2-1-3-6-12/h1-3,5-6,10-11H,4,7-9H2,(H,17,19)(H3,16,18,20,21)
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76n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
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81n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50445616
PNG
(CHEMBL3104091)
Show SMILES CN1CCc2c(C1)c1cccc3CCc4ccccc4-n2c13
Show InChI InChI=1S/C20H20N2/c1-21-12-11-19-17(13-21)16-7-4-6-15-10-9-14-5-2-3-8-18(14)22(19)20(15)16/h2-8H,9-13H2,1H3
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81n/an/an/an/an/an/an/an/a



University of Missouri

Curated by ChEMBL


Assay Description
Displacement of [3H]Cimetidine from histamine H2 receptor (unknown origin)


Bioorg Med Chem Lett 24: 576-9 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.024
BindingDB Entry DOI: 10.7270/Q2MS3V7R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM86741
PNG
(UR-AK59)
Show SMILES CC(C1CCCCC1)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:13.14|
Show InChI InChI=1S/C16H27N5O/c1-12(13-6-3-2-4-7-13)15(22)21-16(17)19-9-5-8-14-10-18-11-20-14/h10-13H,2-9H2,1H3,(H,18,20)(H3,17,19,21,22)
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99n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


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