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PubMed code 21955944

Compile data set for download or QSAR
Found 39 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))
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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6.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
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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8n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357272
PNG
(CHEMBL1916498)
Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
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23.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357277
PNG
(CHEMBL1916505)
Show SMILES CN(C)CCNc1cc(NCC2CC2)ncn1
Show InChI InChI=1S/C12H21N5/c1-17(2)6-5-13-11-7-12(16-9-15-11)14-8-10-3-4-10/h7,9-10H,3-6,8H2,1-2H3,(H2,13,14,15,16)
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32.4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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37n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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39.6n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50179335
PNG
((5-Chloro-1H-benzoimidazol-2-yl)-(4-methyl-piperaz...)
Show SMILES CN1CCN(CC1)C(=O)c1nc2ccc(Cl)cc2[nH]1
Show InChI InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
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47.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50357273
PNG
(CHEMBL1916499)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
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54n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357273
PNG
(CHEMBL1916499)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(NCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)10-16-13-8-14(18-11-17-13)20-7-6-12(9-20)19(4)5/h8,11-12H,6-7,9-10H2,1-5H3,(H,16,17,18)/t12-/m1/s1
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58.9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357274
PNG
(CHEMBL1916500)
Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCNCC1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)4-5-16-12-10-13(18-11-17-12)19-8-6-15-7-9-19/h10-11,15H,4-9H2,1-3H3,(H,16,17,18)
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201n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50304507
PNG
(CHEMBL596562 | N-Benzyl-6-(4-methylpiperazin-1-yl)...)
Show SMILES CN1CCN(CC1)c1cc(NCc2ccccc2)ncn1
Show InChI InChI=1S/C16H21N5/c1-20-7-9-21(10-8-20)16-11-15(18-13-19-16)17-12-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,17,18,19)
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207n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356890
PNG
(CHEMBL1915533)
Show SMILES CN1CCN(CC1)c1cc(NC2Cc3ccccc3C2)ncn1
Show InChI InChI=1S/C18H23N5/c1-22-6-8-23(9-7-22)18-12-17(19-13-20-18)21-16-10-14-4-2-3-5-15(14)11-16/h2-5,12-13,16H,6-11H2,1H3,(H,19,20,21)
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212n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357275
PNG
(CHEMBL1916501)
Show SMILES CN1CCCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)11-16-13-10-14(18-12-17-13)20-7-5-6-19(4)8-9-20/h10,12H,5-9,11H2,1-4H3,(H,16,17,18)
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235n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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502n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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572n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357271
PNG
(CHEMBL1916497)
Show SMILES CN1CC[C@@H](C1)Nc1cc(NCCC(C)(C)C)ncn1 |r|
Show InChI InChI=1S/C15H27N5/c1-15(2,3)6-7-16-13-9-14(18-11-17-13)19-12-5-8-20(4)10-12/h9,11-12H,5-8,10H2,1-4H3,(H2,16,17,18,19)/t12-/m0/s1
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593n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357276
PNG
(CHEMBL1916502)
Show SMILES CC(C)(C)CCNc1cc(ncn1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C20H35N5/c1-20(2,3)9-10-21-18-15-19(23-16-22-18)25-13-11-24(12-14-25)17-7-5-4-6-8-17/h15-17H,4-14H2,1-3H3,(H,21,22,23)
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601n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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646n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50357272
PNG
(CHEMBL1916498)
Show SMILES CN1CCN(CC1)c1cc(NCC(C)(C)C)ncn1
Show InChI InChI=1S/C14H25N5/c1-14(2,3)10-15-12-9-13(17-11-16-12)19-7-5-18(4)6-8-19/h9,11H,5-8,10H2,1-4H3,(H,15,16,17)
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825n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357278
PNG
(CHEMBL1916503)
Show SMILES CN1CCN(CC1)c1cc(ncn1)N1[C@H]2C[C@H]1CCC2 |r|
Show InChI InChI=1S/C15H23N5/c1-18-5-7-19(8-6-18)14-10-15(17-11-16-14)20-12-3-2-4-13(20)9-12/h10-13H,2-9H2,1H3/t12-,13-/m1/s1
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860n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357279
PNG
(CHEMBL1916504)
Show SMILES CN1CC2CN(CC2C1)c1nc(C)ccc1C#N
Show InChI InChI=1S/C14H18N4/c1-10-3-4-11(5-15)14(16-10)18-8-12-6-17(2)7-13(12)9-18/h3-4,12-13H,6-9H2,1-2H3
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930n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357268
PNG
(CHEMBL1916494)
Show SMILES CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m1/s1
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939n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50060682
PNG
(2-(4-Methyl-piperazin-1-yl)-quinoxaline | CHEMBL12...)
Show SMILES CN1CCN(CC1)c1cnc2ccccc2n1
Show InChI InChI=1S/C13H16N4/c1-16-6-8-17(9-7-16)13-10-14-11-4-2-3-5-12(11)15-13/h2-5,10H,6-9H2,1H3
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1.06E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357267
PNG
(CHEMBL1916493)
Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357267
PNG
(CHEMBL1916493)
Show SMILES COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
Show InChI InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
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>2.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor by functional assay


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50356889
PNG
(CHEMBL1915532)
Show SMILES CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
Show InChI InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
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2.11E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357266
PNG
(CHEMBL1916492)
Show SMILES COc1cccc(c1)C(O)(COc1ccccc1C)CN1CCN(C)CC1
Show InChI InChI=1S/C22H30N2O3/c1-18-7-4-5-10-21(18)27-17-22(25,16-24-13-11-23(2)12-14-24)19-8-6-9-20(15-19)26-3/h4-10,15,25H,11-14,16-17H2,1-3H3
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3.24E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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3.56E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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8.22E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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8.82E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H2 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50356879
PNG
(CHEMBL1915535)
Show SMILES CN1CCN(CC1)c1cc(NCCC(C)(C)C)ncn1
Show InChI InChI=1S/C15H27N5/c1-15(2,3)5-6-16-13-11-14(18-12-17-13)20-9-7-19(4)8-10-20/h11-12H,5-10H2,1-4H3,(H,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50357268
PNG
(CHEMBL1916494)
Show SMILES CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m1/s1
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1.36E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357270
PNG
(CHEMBL1916496)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCN(Cc3cccc(F)c3O)C2)ncn1 |r|
Show InChI InChI=1S/C21H30FN5O/c1-21(2,3)8-9-23-18-11-19(25-14-24-18)26-16-7-10-27(13-16)12-15-5-4-6-17(22)20(15)28/h4-6,11,14,16,28H,7-10,12-13H2,1-3H3,(H2,23,24,25,26)/t16-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357269
PNG
(CHEMBL1916495)
Show SMILES COCc1ccc(CN2CC[C@@H](C2)Nc2cc(NCCC(C)(C)C)ncn2)o1 |r|
Show InChI InChI=1S/C21H33N5O2/c1-21(2,3)8-9-22-19-11-20(24-15-23-19)25-16-7-10-26(12-16)13-17-5-6-18(28-17)14-27-4/h5-6,11,15-16H,7-10,12-14H2,1-4H3,(H2,22,23,24,25)/t16-/m0/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50357265
PNG
(CHEMBL1916491)
Show SMILES CN1CCN(CC1)c1cc(ncn1)C(=O)NCc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H20F3N5O/c1-25-5-7-26(8-6-25)16-10-15(23-12-24-16)17(27)22-11-13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,12H,5-8,11H2,1H3,(H,22,27)
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3.49E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50356878
PNG
(CHEMBL1915534)
Show SMILES CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1 |r|
Show InChI InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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>4.00E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 21: 6591-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.114
BindingDB Entry DOI: 10.7270/Q2DF6RNQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%