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Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: Q9QYN8   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ degli Studi di Urbino Carlo Bo

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Adenosine A3 receptor expressed in HEK293 cells using 0.1 nM [3H]AB-MECA


J Med Chem 48: 6887-96 (2005)


Article DOI: 10.1021/jm058018d
BindingDB Entry DOI: 10.7270/Q28C9X1X
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
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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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat histamine H3 receptor


Bioorg Med Chem 18: 7675-99 (2010)


Article DOI: 10.1016/j.bmc.2010.07.034
BindingDB Entry DOI: 10.7270/Q2DF6S69
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237870
PNG
(2-(1,3-bis(2-((S)-2-methylpyrrolidin-1-yl)ethyl)im...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#6])\[#6]-1=[#6](/C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237869
PNG
((+/-)-2-(1,3-bis(2-(2-methylpyrrolidin-1-yl)ethyl)...)
Show SMILES [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-2-[#6])\[#6]-1=[#6](/C#N)C#N |w:1.0,18.20|
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3
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n/an/a 4.90n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 9.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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n/an/a 12n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM600479
PNG
(US11622967, Example SUVN-G3031)
Show SMILES O=C(CN1CCOCC1)Nc1ccc(OC2CCN(CC2)C2CCC2)cc1
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n/an/a 20n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q21R6VGD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237878
PNG
(2-(1,3-bis(3-(piperidin-1-yl)propyl)imidazolidin-2...)
Show SMILES N#C\[#6](C#N)=[#6]-1\[#7](-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1
Show InChI InChI=1S/C22H36N6/c23-19-21(20-24)22-27(15-7-13-25-9-3-1-4-10-25)17-18-28(22)16-8-14-26-11-5-2-6-12-26/h1-18H2
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n/an/a 28n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in rat forebrain assessed as inhibition of [3H]histamine release from synaptosomes


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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n/an/a 138n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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n/an/a 2.35E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]SMT from histamine H3 receptor in forebrain of rat


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair