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Compile Data Set for Download or QSAR

Found 400 hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' AND taxid = 9606   
Target
(Institution)
LigandTarget
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


(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


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


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)


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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5.80n/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)


Citation and Details
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


Citation and Details
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




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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23n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




Citation and Details
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




Citation and Details
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




Citation and Details
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




Citation and Details
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




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




Citation and Details
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)


Citation and Details
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)


Citation and Details
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




Citation and Details
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




Citation and Details
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)


Citation and Details
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)


Citation and Details
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




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


(Homo sapiens (human))
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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100n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




Citation and Details
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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140n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor by radioligand displacement assay


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


(Homo sapiens (human))
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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150n/an/an/an/an/an/an/an/a



University of Kansas

Curated by PDSP Ki Database




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


(Homo sapiens (human))
BDBM50400902
PNG
(CHEMBL2204360)
Show SMILES Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
Show InChI InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
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180n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


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


(Homo sapiens (human))
BDBM50119736
PNG
(4-Bromo-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27BrN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50119728
PNG
(4-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-pheno...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27ClN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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302n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor


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


(Homo sapiens (human))
BDBM50119702
PNG
(CHEMBL102925 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C25H32N2O4S/c1-2-19-4-12-24(13-5-19)32(29,30)26-22-14-16-27(18-22)15-3-17-31-23-10-8-21(9-11-23)25(28)20-6-7-20/h4-5,8-13,20,22,26H,2-3,6-7,14-18H2,1H3/t22-/m0/s1
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330n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50119720
PNG
(CHEMBL107293 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C24H30N2O4S/c1-18-3-11-23(12-4-18)31(28,29)25-21-13-15-26(17-21)14-2-16-30-22-9-7-20(8-10-22)24(27)19-5-6-19/h3-4,7-12,19,21,25H,2,5-6,13-17H2,1H3/t21-/m0/s1
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380n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50401376
PNG
(CHEMBL2205812)
Show SMILES COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-9(3-5-10)6-7-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-5,11-19,22H,6-8H2,1H3
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400n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


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


(Homo sapiens (human))
BDBM50401943
PNG
(CHEMBL2207642)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccc(Cl)cc3)c3cccccc23)CC1
Show InChI InChI=1S/C33H37ClN4O/c1-39-33-10-6-5-9-32(33)38-21-17-36(18-22-38)25-27-23-26(30-7-3-2-4-8-31(27)30)24-35-15-19-37(20-16-35)29-13-11-28(34)12-14-29/h2-14,23H,15-22,24-25H2,1H3
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460n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]URDE257 from human histamine H2 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation countin...


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


(Homo sapiens (human))
BDBM50271706
PNG
(CHEMBL482496 | N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3...)
Show SMILES COc1ccccc1CNCCc1cc(OC)c(I)cc1OC
Show InChI InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3
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>500n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Binding affinity to histamine H2 receptor


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


(Homo sapiens (human))
BDBM50119701
PNG
(CHEMBL104808 | N-{(S)-1-[3-(4-Cyclopropanecarbonyl...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27FN2O4S/c24-19-6-10-22(11-7-19)31(28,29)25-20-12-14-26(16-20)13-1-15-30-21-8-4-18(5-9-21)23(27)17-2-3-17/h4-11,17,20,25H,1-3,12-16H2/t20-/m0/s1
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500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50401944
PNG
(CHEMBL2207641)
Show SMILES COc1ccccc1N1CCN(Cc2cc(CN3CCN(CC3)c3ccccc3OC)c3cccccc23)CC1
Show InChI InChI=1S/C34H40N4O2/c1-39-33-14-8-6-12-31(33)37-20-16-35(17-21-37)25-27-24-28(30-11-5-3-4-10-29(27)30)26-36-18-22-38(23-19-36)32-13-7-9-15-34(32)40-2/h3-15,24H,16-23,25-26H2,1-2H3
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530n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]URDE257 from human histamine H2 receptor expressed in insect Sf9 cell membrane preparation after 60 mins by scintillation countin...


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


(Homo sapiens (human))
BDBM50292603
PNG
(2-(pyrrolidin-1-yl)ethyl 10H-phenothiazine-10-carb...)
Show SMILES O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2O2S/c22-19(23-14-13-20-11-5-6-12-20)21-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)21/h1-4,7-10H,5-6,11-14H2
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540n/an/an/an/an/an/an/an/a



Dalhousie University

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor (unknown origin) by PDSP assay


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


(Homo sapiens (human))
BDBM50160160
PNG
((S)-1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-...)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1
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672n/an/an/an/an/an/an/an/a



Hunter College and the Graduate Center of the City University of New York

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50119712
PNG
(3-Chloro-N-{(S)-1-[3-(4-cyclopropanecarbonyl-pheno...)
Show SMILES Clc1cccc(c1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C23H27ClN2O4S/c24-19-3-1-4-22(15-19)31(28,29)25-20-11-13-26(16-20)12-2-14-30-21-9-7-18(8-10-21)23(27)17-5-6-17/h1,3-4,7-10,15,17,20,25H,2,5-6,11-14,16H2/t20-/m0/s1
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700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50119708
PNG
(2-Cyano-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2ccccc2C#N)cc1
Show InChI InChI=1S/C24H27N3O4S/c25-16-20-4-1-2-5-23(20)32(29,30)26-21-12-14-27(17-21)13-3-15-31-22-10-8-19(9-11-22)24(28)18-6-7-18/h1-2,4-5,8-11,18,21,26H,3,6-7,12-15,17H2/t21-/m0/s1
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710n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50119725
PNG
(4-tert-Butyl-N-{(S)-1-[3-(4-cyclopropanecarbonyl-p...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)C1
Show InChI InChI=1S/C27H36N2O4S/c1-27(2,3)22-9-13-25(14-10-22)34(31,32)28-23-15-17-29(19-23)16-4-18-33-24-11-7-21(8-12-24)26(30)20-5-6-20/h7-14,20,23,28H,4-6,15-19H2,1-3H3/t23-/m0/s1
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730n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50401368
PNG
(CHEMBL2205813)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1OC
Show InChI InChI=1S/C21H25NO3/c1-24-12-5-3-4-9(20(12)25-2)6-7-22-19-15-10-8-11-14-13(10)16(19)18(14)21(22,23)17(11)15/h3-5,10-11,13-19,23H,6-8H2,1-2H3
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743n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


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


(Homo sapiens (human))
BDBM50267554
PNG
(4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-to...)
Show SMILES COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1
Show InChI InChI=1S/C24H30FNO3/c1-18-6-8-19(9-7-18)10-14-26-15-11-20(12-16-26)23(27)21-4-3-5-22(24(21)28-2)29-17-13-25/h3-9,20H,10-17H2,1-2H3
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827n/an/an/an/an/an/an/an/a



Institute of Nuclear Chemistry Johannes Gutenberg-University Mainz

Curated by ChEMBL


Assay Description
Inhibition of human cloned histamine H2 receptor by competitive binding experiment


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


(Homo sapiens (human))
BDBM50256882
PNG
(6-((4-(2-(4-tert-butylphenyl)-1H-benzo[d]imidazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc2c(cccc2[nH]1)N1CCN(Cc2ccc3nccnc3c2)CC1
Show InChI InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)
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850n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human histamine H2 receptor


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


(Homo sapiens (human))
BDBM50132341
PNG
(CHEMBL3633757)
Show SMILES COc1cc2CCN(C)C3Cc4cc5OCOc5cc4-c(c1OCc1ccc(Br)cc1)c23
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>900n/an/an/an/an/an/an/an/a



City University of New York

Curated by ChEMBL


Assay Description
Inhibitory concentration of Bacillus stearothermophilus glucosidase (of family 13 alpha-glucosidase) at 1 umol/mL


Bioorg Med Chem Lett 25: 5102-6 (2015)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50119735
PNG
(3-Cyano-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CC[C@@H](C2)NS(=O)(=O)c2cccc(c2)C#N)cc1
Show InChI InChI=1S/C24H27N3O4S/c25-16-18-3-1-4-23(15-18)32(29,30)26-21-11-13-27(17-21)12-2-14-31-22-9-7-20(8-10-22)24(28)19-5-6-19/h1,3-4,7-10,15,19,21,26H,2,5-6,11-14,17H2/t21-/m0/s1
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900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human Histamine H2 receptor


Bioorg Med Chem Lett 12: 3055-8 (2002)

More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (human))
BDBM50383117
PNG
(CHEMBL2031737)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C22H22N2O4/c1-15-3-2-11-23(15)12-10-20-14-18-13-17(6-9-21(18)28-20)22(25)16-4-7-19(8-5-16)24(26)27/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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923n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant H2 receptor


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


(Homo sapiens (human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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933n/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)


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


(Homo sapiens (human))
BDBM50445614
PNG
(CHEMBL3104093)
Show SMILES CN1CCc2c(C1)c1cccc3-c4ccccc4CCn2c13
Show InChI InChI=1S/C20H20N2/c1-21-11-10-19-18(13-21)17-8-4-7-16-15-6-3-2-5-14(15)9-12-22(19)20(16)17/h2-8H,9-13H2,1H3
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943n/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)


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


(Homo sapiens (human))
BDBM50401361
PNG
(CHEMBL2205811)
Show SMILES COc1cccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)c1
Show InChI InChI=1S/C20H23NO2/c1-23-10-4-2-3-9(7-10)5-6-21-19-15-11-8-12-14-13(11)16(19)18(14)20(21,22)17(12)15/h2-4,7,11-19,22H,5-6,8H2,1H3
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948n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Binding affinity to Histamine H2 receptor


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


(Homo sapiens (human))
BDBM50372296
PNG
(CHEMBL402377)
Show SMILES C[C@H]1CCCN1CCc1ccc2ccccc2c1
Show InChI InChI=1S/C17H21N/c1-14-5-4-11-18(14)12-10-15-8-9-16-6-2-3-7-17(16)13-15/h2-3,6-9,13-14H,4-5,10-12H2,1H3/t14-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor by [35S]GTP-gamma-S binding assay


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


(Homo sapiens (human))
BDBM50372295
PNG
(CHEMBL429914)
Show SMILES C[C@@H]1CCCN1CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H25NO/c1-17-6-5-14-21(17)15-13-18-9-11-20(12-10-18)22-16-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3/t17-/m1/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor by [35S]GTP-gamma-S binding assay


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


(Homo sapiens (human))
BDBM50326218
PNG
(CHEMBL1242923 | N-{1-[3-(3-Oxo-2,3-dihydrobenzo[1,...)
Show SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C24H29N3O3/c28-23(17-19-7-2-1-3-8-19)25-20-11-15-26(16-12-20)13-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29/h1-5,7-10,20H,6,11-18H2,(H,25,28)
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<1.00E+3n/an/an/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor by radioligand displacement assay


Citation and Details
More data for this
Ligand-Target Pair
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