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PubMed code 18811133

Compile data set for download or QSAR
Found 12 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


(Rattus norvegicus (rat))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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Article
PubMed
2.70 -48.9n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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Article
PubMed
12 -45.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26229
PNG
(2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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PubMed
35 -42.6n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM26230
PNG
(2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...)
Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)
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PubMed
42 -42.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM26230
PNG
(2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...)
Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)
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Article
PubMed
120 -39.5n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM26229
PNG
(2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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Article
PubMed
245 -37.7n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM26229
PNG
(2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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Article
PubMed
275 -37.4n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Rattus norvegicus (rat))
BDBM26230
PNG
(2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...)
Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)
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Article
PubMed
339 -36.9n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM26230
PNG
(2-Aminopyrimidine analog., 25 | 4-[2-amino-6-(pipe...)
Show SMILES Nc1nc(cc(n1)-c1ccc(cc1)C#N)N1CCNCC1
Show InChI InChI=1S/C15H16N6/c16-10-11-1-3-12(4-2-11)13-9-14(20-15(17)19-13)21-7-5-18-6-8-21/h1-4,9,18H,5-8H2,(H2,17,19,20)
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PubMed
933 -34.4n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM26229
PNG
(2-Aminopyrimidine analog., 4 | 4-[2-amino-6-(4-met...)
Show SMILES CN1CCN(CC1)c1cc(nc(N)n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H18N6/c1-21-6-8-22(9-7-21)15-10-14(19-16(18)20-15)13-4-2-12(11-17)3-5-13/h2-5,10H,6-9H2,1H3,(H2,18,19,20)
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PubMed
1.29E+3 -33.6n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PDB

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PubMed
1.32E+3 -33.6n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22566
PNG
(5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-i...)
Show SMILES CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
PDB

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Article
PubMed
2.24E+3 -32.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 6571-80 (2008)


Article DOI: 10.1021/jm8005959
BindingDB Entry DOI: 10.7270/Q24J0CD9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%