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PubMed code 26931395

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
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 H4 receptor


(Homo sapiens (Human))
BDBM189355
PNG
(4-(4-Methylpiperazin-1-yl)-6-(pyridin-4-yl)-1,3,5-...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(n1)-c1ccncc1
Show InChI InChI=1S/C13H17N7/c1-19-6-8-20(9-7-19)13-17-11(16-12(14)18-13)10-2-4-15-5-3-10/h2-5H,6-9H2,1H3,(H2,14,16,17,18)
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PubMed
3.19E+3 -29.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189346
PNG
(N-(4-Chlorophenyl)-4-methylpiperazine-1-carboxamid...)
Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C12H16ClN3O/c1-15-6-8-16(9-7-15)12(17)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,17)
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PubMed
3.52E+3 -28.9n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189344
PNG
((3-Chlorophenyl)(4-methylpiperazin-1-yl)methanone ...)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C12H15ClN2O/c1-14-5-7-15(8-6-14)12(16)10-3-2-4-11(13)9-10/h2-4,9H,5-8H2,1H3
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PubMed
3.88E+3 -28.7n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189352
PNG
(4-(4-Methylpiperazin-1-yl)-6-(naphthalen-1-ylmethy...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2cccc3ccccc23)n1
Show InChI InChI=1S/C19H22N6/c1-24-9-11-25(12-10-24)19-22-17(21-18(20)23-19)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H2,20,21,22,23)
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5.60E+3 -27.9n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189353
PNG
(4-Benzyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2)n1
Show InChI InChI=1S/C15H20N6/c1-20-7-9-21(10-8-20)15-18-13(17-14(16)19-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,17,18,19)
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PubMed
7.50E+3 -27.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189345
PNG
((4-Chlorophenyl)(4-methylpiperazin-1-yl)methanone ...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C12H15ClN2O/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(13)5-3-10/h2-5H,6-9H2,1H3
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7.55E+3 -27.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189351
PNG
(4-(4-Methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,...)
Show SMILES CC(C)Cc1nc(N)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H22N6/c1-9(2)8-10-14-11(13)16-12(15-10)18-6-4-17(3)5-7-18/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
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8.26E+3 -27.0n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189354
PNG
(4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(COc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H19ClN6O/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-23-12-4-2-11(16)3-5-12/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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1.06E+4 -26.4n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189350
PNG
(3-((4-Amino-6-(4-methylpiperazin-1-yl)-1,3,5-triaz...)
Show SMILES CN1CCN(CC1)c1nc(N)nc(CN2C(=O)NC(C)(C)C2=O)n1
Show InChI InChI=1S/C14H22N8O2/c1-14(2)10(23)22(13(24)19-14)8-9-16-11(15)18-12(17-9)21-6-4-20(3)5-7-21/h4-8H2,1-3H3,(H,19,24)(H2,15,16,17,18)
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1.46E+4 -25.7n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189348
PNG
(3,6-Dichloro-N-(3-(4-methylpiperazin-1-yl)propyl)b...)
Show SMILES CN1CCN(CCCNC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1
Show InChI InChI=1S/C17H21Cl2N3OS/c1-21-7-9-22(10-8-21)6-2-5-20-17(23)16-15(19)13-4-3-12(18)11-14(13)24-16/h3-4,11H,2,5-10H2,1H3,(H,20,23)
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PubMed
>1.00E+5>-21.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189343
PNG
((2-Chlorophenyl)(4-methylpiperazin-1-yl)methanone ...)
Show SMILES CN1CCN(CC1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C12H15ClN2O/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3
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PubMed
>1.00E+5>-21.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189349
PNG
(1-(3-Chlorophenyl)-3-(3-(4-methylpiperazin-1-yl)pr...)
Show SMILES CN1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1
Show InChI InChI=1S/C15H23ClN4O/c1-19-8-10-20(11-9-19)7-3-6-17-15(21)18-14-5-2-4-13(16)12-14/h2,4-5,12H,3,6-11H2,1H3,(H2,17,18,21)
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>1.00E+5>-21.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM189347
PNG
(5-Chloro-N-(3-(4-methylpiperazin-1-yl)propyl)-1H-i...)
Show SMILES CN1CCN(CCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
Show InChI InChI=1S/C17H23ClN4O/c1-21-7-9-22(10-8-21)6-2-5-19-17(23)16-12-13-11-14(18)3-4-15(13)20-16/h3-4,11-12,20H,2,5-10H2,1H3,(H,19,23)
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>1.00E+5>-21.2n/an/an/an/an/a7.44



Jagiellonian University Medical College



Assay Description
Prior to the experiments, cell membranes were sedimented by a 10 min centrifugation at 4 °C and 16 0009x g and resuspended in binding buffer (12...


Chem Biol Drug Des 88: 254-63 (2016)


Article DOI: 10.1111/cbdd.12752
BindingDB Entry DOI: 10.7270/Q21R6P93
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%