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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor H4'   
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 receptor H4


(GUINEA PIG)		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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 0.100n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1124/mol.59.3.434
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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 0.140n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1124/mol.59.3.434
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		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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 0.150n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1124/mol.59.3.434
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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 6n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor

J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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 104n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by PDSP Ki Database




Mol Pharmacol 59: 434-41 (2001)


Article DOI: 10.1124/mol.59.3.434
BindingDB Entry DOI: 10.7270/Q2Z899ZR
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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 123n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from guinea pig histamine H4 receptor expressed in HEK293T cells

J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50356884
PNG
(CHEMBL1915540)
Show SMILES CN[C@@H]1CCN(C1)c1cc(NCC2CC2)nc(N)n1 |r|
Show InChI InChI=1S/C13H22N6/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18)/t10-/m1/s1
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 123n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from guinea pig H4R expressed in HEK293T cells

Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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 306n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from guinea pig recombinant histamine H4 receptor

J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50006789
PNG
(CHEMBL3236549)
Show SMILES CC(C)c1cc(nc(N)n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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 306n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor

J Med Chem 57: 2429-39 (2014)


Article DOI: 10.1021/jm401727m
BindingDB Entry DOI: 10.7270/Q25H7HSH
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		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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 1.07E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-histamine from guinea pig H4R expressed in HEK293T cells

Bioorg Med Chem Lett 21: 6596-602 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.125
BindingDB Entry DOI: 10.7270/Q20C4W6C
More data for this
Ligand-Target Pair
Histamine receptor H4


(BOVINE)		BDBM86757
PNG
(CAS_0 | NSC_11603174 | [11C]MMP)
Show SMILES COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
Show InChI InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University

Curated by PDSP Ki Database




Eur J Nucl Med Mol Imaging 34: 1050-60 (2007)


Article DOI: 10.1007/s00259-006-0324-y
BindingDB Entry DOI: 10.7270/Q2D7990W
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50327861
PNG
((1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxyben...)
Show SMILES CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1
Show InChI InChI=1S/C18H28N2O3/c1-3-4-9-20-10-7-14(8-11-20)13-23-18(21)15-5-6-16(19)17(12-15)22-2/h5-6,12,14H,3-4,7-11,13,19H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor

J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50327860
PNG
((1-Butylpiperidin-4-yl)methyl 7-chloro-8-(methylam...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1
Show InChI InChI=1S/C20H29ClN2O4/c1-3-4-7-23-8-5-14(6-9-23)13-27-20(24)15-12-16(21)17(22-2)19-18(15)25-10-11-26-19/h12,14,22H,3-11,13H2,1-2H3
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor

J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair
Histamine receptor H4


(GUINEA PIG)		BDBM50327863
PNG
((1-Butylpiperidin-4-yl)methyl 8-Amino-7-fluoro-2,3...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1
Show InChI InChI=1S/C19H27FN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3
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National Institute of Mental Health

Curated by ChEMBL


Assay Description
Binding affinity to guinea pig histamine H4 receptor

J Med Chem 53: 7035-47 (2010)


Article DOI: 10.1021/jm100668r
BindingDB Entry DOI: 10.7270/Q2BR8SD7
More data for this
Ligand-Target Pair