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6 similar compounds to monomer 50061065

Compile data set for download or QSAR
Wt: 179.2
BDBM128119
Purchase
Wt: 264.3
BDBM50342989
Wt: 264.3
BDBM50343000
Wt: 193.2
BDBM50361016
Purchase
Wt: 249.3
BDBM50061057
Wt: 235.3
BDBM50061070

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 128119,50342989,50343000,50361016,50061057,50061070   
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 H4 receptor


(Homo sapiens (Human))
BDBM50342989
PNG
(CHEMBL1771000 | N4-isobutyl-6-(4-methylpiperazin-1...)
Show SMILES CC(C)CNc1cc(nc(N)n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
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2n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM128119
PNG
(US8796297, 25)
Show SMILES Nc1nccc(n1)N1CCNCC1
Show InChI InChI=1S/C8H13N5/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H2,9,11,12)
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US Patent
5.75 -10.4n/an/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...


US Patent US8796297 (2014)


BindingDB Entry DOI: 10.7270/Q2ST7NH8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50361016
PNG
(CHEMBL501882 | US8796297, 13)
Show SMILES CN1CCN(CC1)c1ccnc(N)n1
Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
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US Patent
7.41 -10.3n/an/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...


US Patent US8796297 (2014)


BindingDB Entry DOI: 10.7270/Q2ST7NH8
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50361016
PNG
(CHEMBL501882 | US8796297, 13)
Show SMILES CN1CCN(CC1)c1ccnc(N)n1
Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
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US Patent
13.8 -9.96n/an/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...


US Patent US8796297 (2014)


BindingDB Entry DOI: 10.7270/Q2ST7NH8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343000
PNG
(CHEMBL1770985 | N2-isobutyl-6-(4-methylpiperazin-1...)
Show SMILES CC(C)CNc1nc(N)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N6/c1-10(2)9-15-13-16-11(14)8-12(17-13)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
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15n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM128119
PNG
(US8796297, 25)
Show SMILES Nc1nccc(n1)N1CCNCC1
Show InChI InChI=1S/C8H13N5/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H2,9,11,12)
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US Patent
24 -9.66n/an/an/an/an/a7.44



AbbVie Inc.

US Patent


Assay Description
The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esb...


US Patent US8796297 (2014)


BindingDB Entry DOI: 10.7270/Q2ST7NH8
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
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24.3n/an/an/an/an/an/an/an/a



JANSSEN PHARMACEUTICA N.V.

US Patent


Assay Description
Cell pellets from SK-N-MC cells stably or transiently transfected with human H4 receptor (NCBI accession No. AF312230) were used for the binding assa...


US Patent US9732087 (2017)


Article DOI: 10.1021/jm060807n
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50361016
PNG
(CHEMBL501882 | US8796297, 13)
Show SMILES CN1CCN(CC1)c1ccnc(N)n1
Show InChI InChI=1S/C9H15N5/c1-13-4-6-14(7-5-13)8-2-3-11-9(10)12-8/h2-3H,4-7H2,1H3,(H2,10,11,12)
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PubMed
31n/an/an/an/an/an/an/an/a



Griffin Discoveries BV

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes


Bioorg Med Chem Lett 22: 461-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.104
BindingDB Entry DOI: 10.7270/Q2D79BT2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061057
PNG
(CHEMBL3393541)
Show SMILES CCCCNc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H23N5/c1-3-4-6-14-13-15-7-5-12(16-13)18-10-8-17(2)9-11-18/h5,7H,3-4,6,8-11H2,1-2H3,(H,14,15,16)
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55n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
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117n/an/an/an/an/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50343000
PNG
(CHEMBL1770985 | N2-isobutyl-6-(4-methylpiperazin-1...)
Show SMILES CC(C)CNc1nc(N)cc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N6/c1-10(2)9-15-13-16-11(14)8-12(17-13)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
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n/an/an/an/a 86n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as effect on forskolin-induced cAMP accumulation after 6 hr...


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50342989
PNG
(CHEMBL1771000 | N4-isobutyl-6-(4-methylpiperazin-1...)
Show SMILES CC(C)CNc1cc(nc(N)n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H24N6/c1-10(2)9-15-11-8-12(17-13(14)16-11)19-6-4-18(3)5-7-19/h8,10H,4-7,9H2,1-3H3,(H3,14,15,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H4 receptor expressed in human SK-N-MC cells assessed as effect on forskolin-induced cAMP accumulation after 6 hr...


Bioorg Med Chem Lett 21: 3113-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.017
BindingDB Entry DOI: 10.7270/Q24X5845
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061057
PNG
(CHEMBL3393541)
Show SMILES CCCCNc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C13H23N5/c1-3-4-6-14-13-15-7-5-12(16-13)18-10-8-17(2)9-11-18/h5,7H,3-4,6,8-11H2,1-2H3,(H,14,15,16)
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n/an/an/an/a 91n/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated repor...


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50061070
PNG
(CHEMBL3393536 | US9732087, 53)
Show SMILES CC(C)Nc1nccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H21N5/c1-10(2)14-12-13-5-4-11(15-12)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3,(H,13,14,15)
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n/an/an/an/a 112n/an/an/an/a



Janssen Pharmaceutical Research& Development, LLC

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H4 receptor expressed in SK-N-MC cells assessed as effect on forskolin-stimulated cAMP-mediated repor...


Bioorg Med Chem Lett 25: 956-9 (2015)


Article DOI: 10.1016/j.bmcl.2014.12.027
BindingDB Entry DOI: 10.7270/Q2639RDD
More data for this
Ligand-Target Pair