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Compile Data Set for Download or QSAR

Found 500 hits of ki data for polymerid = 2298,2980,49000659,49000660,49000663,49000664   
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


(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)

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)

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
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




Citation and Details
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)

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
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)

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)

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
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




Citation and Details
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...


Citation and Details
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
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)

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




Citation and Details
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




Citation and Details
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
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)

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
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)

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
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...


Citation and Details
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...


Citation and Details
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
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)

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
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.


Citation and Details
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 NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
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




Citation and Details
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
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




Citation and Details
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
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)

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
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)

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)

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 CNC(NC#N)=NCCSCc1csc(N=C(N)N)n1
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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


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

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
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)

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
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)

More data for this
Ligand-Target Pair
Histamine H2 receptor


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



University of Kansas

Curated by PDSP Ki Database




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

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
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)

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
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)

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
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)

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
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)

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 CNC(NC#N)=NCCSCc1csc(N=C(N)N)n1
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


Citation and Details
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 CNC(NC#N)=NCCSCc1csc(N=C(N)N)n1
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




Citation and Details
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
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)

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
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)

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
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)

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




Citation and Details
More data for this
Ligand-Target Pair
Histamine H2 receptor


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



University of Kansas

Curated by PDSP Ki Database




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

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
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)

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
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




Citation and Details
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
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)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


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



University of Kansas

Curated by PDSP Ki Database




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

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
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)

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
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)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


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



University of Kansas

Curated by PDSP Ki Database




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

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
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)

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
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)

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)

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)

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
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)

More data for this
Ligand-Target Pair
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