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Compile Data Set for Download or QSAR

Found 169 hits Enz. Inhib. hit(s) with all data for entry = 858   
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))
BDBM294419
PNG
(US9586959, Compound 98)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nc(C)nc12
Show InChI InChI=1S/C14H16ClN7/c1-9-17-14-13(21-5-3-20(2)4-6-21)18-12-11(22(14)19-9)7-10(15)8-16-12/h7-8H,3-6H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294378
PNG
(US9586959, Compound 31)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2c2nc(C)nn12
Show InChI InChI=1S/C14H16ClN7/c1-9-17-13-11-7-10(15)8-16-12(11)18-14(22(13)19-9)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294427
PNG
(US9586959, Compound disclosed in WO 2010030785, Ex...)
Show SMILES CN1CCN(CC1)c1nc2ccc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13/h2-3,8-9H,4-7H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294418
PNG
(US9586959, Compound 96)
Show SMILES CN1CCN(CC1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C12H13BrN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294373
PNG
(US9586959, Compound 104 | US9586959, Compound 24 |...)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C12H12BrN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294386
PNG
(US9586959, Compound 49)
Show SMILES CN1CCN(CC1)c1nc2ncc(I)cc2n2cnnc12
Show InChI InChI=1S/C13H14IN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294373
PNG
(US9586959, Compound 104 | US9586959, Compound 24 |...)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C12H12BrN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294361
PNG
(US9586959, Compound 4)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C13H14ClN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294414
PNG
(US9586959, Compound 92)
Show SMILES CN1CCN(CC1)C1=Nc2ncc(Cl)cc2C2OC(C)=NC12 |c:21,t:8|
Show InChI InChI=1S/C15H18ClN5O/c1-9-18-12-13(22-9)11-7-10(16)8-17-14(11)19-15(12)21-5-3-20(2)4-6-21/h7-8,12-13H,3-6H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294407
PNG
(US9586959, Compound 69 | US9586959, Compound 95)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2nnnc12
Show InChI InChI=1S/C11H11BrN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294377
PNG
(US9586959, Compound 29)
Show SMILES Clc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16ClN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294368
PNG
(US9586959, Compound 18)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C12H12ClN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294408
PNG
(US9586959, Compound 74)
Show SMILES Brc1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16BrN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294416
PNG
(US9586959, Compound 94)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2nnnc12
Show InChI InChI=1S/C12H13ClN8/c1-19-2-4-20(5-3-19)11-12-16-17-18-21(12)9-6-8(13)7-14-10(9)15-11/h6-7H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294409
PNG
(US9586959, Compound 75)
Show SMILES Ic1cnc2nc(N3CCN4CCCC4C3)c3nncn3c2c1
Show InChI InChI=1S/C15H16IN7/c16-10-6-12-13(17-7-10)19-14(15-20-18-9-23(12)15)22-5-4-21-3-1-2-11(21)8-22/h6-7,9,11H,1-5,8H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294366
PNG
(US9586959, Compound 16)
Show SMILES Brc1cnc2nc(N3CCNCC3)c3nncn3c2c1
Show InChI InChI=1S/C12H12BrN7/c13-8-5-9-10(15-6-8)17-11(12-18-16-7-20(9)12)19-3-1-14-2-4-19/h5-7,14H,1-4H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294415
PNG
(US9586959, Compound 93)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)cc2n2nnnc12
Show InChI InChI=1S/C11H11ClN8/c1-13-7-4-19(5-7)10-11-16-17-18-20(11)8-2-6(12)3-14-9(8)15-10/h2-3,7,13H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294385
PNG
(US9586959, Compound 48)
Show SMILES CNC1CN(C1)c1nc2ncc(I)cc2n2cnnc12
Show InChI InChI=1S/C12H12IN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294364
PNG
(US9586959, Compound 12)
Show SMILES CN1CCN(CC1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C13H14BrN7/c1-19-2-4-20(5-3-19)12-13-18-16-8-21(13)10-6-9(14)7-15-11(10)17-12/h6-8H,2-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294382
PNG
(US9586959, Compound 43)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2c2cn(C)nc12
Show InChI InChI=1S/C15H17ClN6/c1-20-3-5-22(6-4-20)15-13-12(9-21(2)19-13)11-7-10(16)8-17-14(11)18-15/h7-9H,3-6H2,1-2H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294379
PNG
(US9586959, Compound 32)
Show SMILES Cc1nc2c3cc(Cl)cnc3nc(N3CCNCC3)n2n1
Show InChI InChI=1S/C13H14ClN7/c1-8-17-12-10-6-9(14)7-16-11(10)18-13(21(12)19-8)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294374
PNG
(US9586959, Compound 25)
Show SMILES CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)[N+]#[C-]
Show InChI InChI=1S/C13H12N8/c1-14-8-3-10-11(16-4-8)18-12(13-19-17-7-21(10)13)20-5-9(6-20)15-2/h3-4,7,9,15H,5-6H2,2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294381
PNG
(US9586959, Compound 39)
Show SMILES Clc1cnc2nc(N3CCNCC3)n3nc(nc3c2c1)C1CC1
Show InChI InChI=1S/C15H16ClN7/c16-10-7-11-13(18-8-10)20-15(22-5-3-17-4-6-22)23-14(11)19-12(21-23)9-1-2-9/h7-9,17H,1-6H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294373
PNG
(US9586959, Compound 104 | US9586959, Compound 24 |...)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2cnnc12
Show InChI InChI=1S/C12H12BrN7/c1-14-8-4-19(5-8)11-12-18-16-6-20(12)9-2-7(13)3-15-10(9)17-11/h2-3,6,8,14H,4-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294362
PNG
(US9586959, Compound 7)
Show SMILES Clc1cnc2nc(N3CCNCC3)c3nncn3c2c1
Show InChI InChI=1S/C12H12ClN7/c13-8-5-9-10(15-6-8)17-11(12-18-16-7-20(9)12)19-3-1-14-2-4-19/h5-7,14H,1-4H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294372
PNG
(US9586959, Compound 23)
Show SMILES CCOc1nc2nc(N3CCN(C)CC3)c3nncn3c2cc1Cl
Show InChI InChI=1S/C15H18ClN7O/c1-3-24-15-10(16)8-11-12(19-15)18-13(14-20-17-9-23(11)14)22-6-4-21(2)5-7-22/h8-9H,3-7H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294383
PNG
(US9586959, Compound 46)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2n2ccnc12
Show InChI InChI=1S/C14H15ClN6/c1-19-4-6-20(7-5-19)14-13-16-2-3-21(13)11-8-10(15)9-17-12(11)18-14/h2-3,8-9H,4-7H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294423
PNG
(US9586959, Compound 110)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2c2ccnn12
Show InChI InChI=1S/C13H13BrN6/c1-15-9-6-19(7-9)13-18-12-10(4-8(14)5-16-12)11-2-3-17-20(11)13/h2-5,9,15H,6-7H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294380
PNG
(US9586959, Compound 35)
Show SMILES CN1CCN(CC1)c1nc2ncc(Cl)cc2c2ncnn12
Show InChI InChI=1S/C13H14ClN7/c1-19-2-4-20(5-3-19)13-18-11-10(6-9(14)7-15-11)12-16-8-17-21(12)13/h6-8H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294367
PNG
(US9586959, Compound 17)
Show SMILES CN1CCN(CC1)c1nc2nc(Cl)c(Cl)cc2n2cnnc12
Show InChI InChI=1S/C13H13Cl2N7/c1-20-2-4-21(5-3-20)12-13-19-16-7-22(13)9-6-8(14)10(15)17-11(9)18-12/h6-7H,2-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294387
PNG
(US9586959, Compound 50)
Show SMILES CNC1CN(C1)c1nc2ncc(C)cc2n2cnnc12
Show InChI InChI=1S/C13H15N7/c1-8-3-10-11(15-4-8)17-12(13-18-16-7-20(10)13)19-5-9(6-19)14-2/h3-4,7,9,14H,5-6H2,1-2H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294391
PNG
(US9586959, Compound 54)
Show SMILES CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)C#C
Show InChI InChI=1S/C14H13N7/c1-3-9-4-11-12(16-5-9)18-13(14-19-17-8-21(11)14)20-6-10(7-20)15-2/h1,4-5,8,10,15H,6-7H2,2H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294393
PNG
(US9586959, Compound 58)
Show SMILES CNC1CN(C1)c1nc2ncc(OC)cc2n2cnnc12
Show InChI InChI=1S/C13H15N7O/c1-14-8-5-19(6-8)12-13-18-16-7-20(13)10-3-9(21-2)4-15-11(10)17-12/h3-4,7-8,14H,5-6H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294426
PNG
(US9586959, Compound 117)
Show SMILES CNC1CN(C1)c1nc2cnc(Cl)cc2n2cnnc12
Show InChI InChI=1S/C12H12ClN7/c1-14-7-4-19(5-7)11-12-18-16-6-20(12)9-2-10(13)15-3-8(9)17-11/h2-3,6-7,14H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294389
PNG
(US9586959, Compound 52)
Show SMILES NC1CN(C1)c1nc2ncc(cc2n2cnnc12)C(F)(F)F
Show InChI InChI=1S/C12H10F3N7/c13-12(14,15)6-1-8-9(17-2-6)19-10(21-3-7(16)4-21)11-20-18-5-22(8)11/h1-2,5,7H,3-4,16H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294375
PNG
(US9586959, Compound 26)
Show SMILES [C-]#[N+]c1cnc2nc(N3CCNCC3)c3nncn3c2c1
Show InChI InChI=1S/C13H12N8/c1-14-9-6-10-11(16-7-9)18-12(13-19-17-8-21(10)13)20-4-2-15-3-5-20/h6-8,15H,2-5H2
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294420
PNG
(US9586959, Compound 100)
Show SMILES CN1CCN(CC1)c1nc2nc(C)c(Br)cc2n2cnnc12
Show InChI InChI=1S/C14H16BrN7/c1-9-10(15)7-11-12(17-9)18-13(14-19-16-8-22(11)14)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294365
PNG
(US9586959, Compound 13)
Show SMILES CN1CCN(CC1)c1nc2ncc(cc2n2cnnc12)[N+]#[C-]
Show InChI InChI=1S/C14H14N8/c1-15-10-7-11-12(16-8-10)18-13(14-19-17-9-22(11)14)21-5-3-20(2)4-6-21/h7-9H,3-6H2,2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294425
PNG
(US9586959, Compound 116)
Show SMILES CNC1CN(C1)c1nc2ccc(Cl)nc2n2cnnc12
Show InChI InChI=1S/C12H12ClN7/c1-14-7-4-19(5-7)11-12-18-15-6-20(12)10-8(16-11)2-3-9(13)17-10/h2-3,6-7,14H,4-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294424
PNG
(US9586959, Compound 111)
Show SMILES CNC1CN(C1)c1nc2ncc(cc2n2cnnc12)[N+]([O-])=O
Show InChI InChI=1S/C12H12N8O2/c1-13-7-4-18(5-7)11-12-17-15-6-19(12)9-2-8(20(21)22)3-14-10(9)16-11/h2-3,6-7,13H,4-5H2,1H3
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Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294398
PNG
(US9586959, Compound 64)
Show SMILES CN1CCN(CC1)c1nc2nc(OCC(F)(F)F)c(Cl)cc2n2cnnc12
Show InChI InChI=1S/C15H15ClF3N7O/c1-24-2-4-25(5-3-24)12-13-23-20-8-26(13)10-6-9(16)14(22-11(10)21-12)27-7-15(17,18)19/h6,8H,2-5,7H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294392
PNG
(US9586959, Compound 55)
Show SMILES CNC1CN(C1)c1nc2ncc(C=C)cc2n2cnnc12
Show InChI InChI=1S/C14H15N7/c1-3-9-4-11-12(16-5-9)18-13(14-19-17-8-21(11)14)20-6-10(7-20)15-2/h3-5,8,10,15H,1,6-7H2,2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294412
PNG
(US9586959, Compound 88)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)cc2n2ccnc12
Show InChI InChI=1S/C13H13ClN6/c1-15-9-6-19(7-9)13-12-16-2-3-20(12)10-4-8(14)5-17-11(10)18-13/h2-5,9,15H,6-7H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294371
PNG
(US9586959, Compound 21)
Show SMILES CN1CCN(CC1)c1nc2nc([N+]#[C-])c(Cl)cc2n2cnnc12
Show InChI InChI=1S/C14H13ClN8/c1-16-11-9(15)7-10-12(18-11)19-13(14-20-17-8-23(10)14)22-5-3-21(2)4-6-22/h7-8H,3-6H2,2H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294390
PNG
(US9586959, Compound 53)
Show SMILES CN1CCN(CC1)c1nc2ncc(cc2n2cnnc12)C(F)(F)F
Show InChI InChI=1S/C14H14F3N7/c1-22-2-4-23(5-3-22)12-13-21-19-8-24(13)10-6-9(14(15,16)17)7-18-11(10)20-12/h6-8H,2-5H2,1H3
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US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294401
PNG
(US9586959, Compound 66)
Show SMILES CN1CCN(CC1)c1nc2ncc(Br)c(C)c2n2cnnc12
Show InChI InChI=1S/C14H16BrN7/c1-9-10(15)7-16-12-11(9)22-8-17-19-14(22)13(18-12)21-5-3-20(2)4-6-21/h7-8H,3-6H2,1-2H3
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n/an/a 300n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294405
PNG
(US9586959, Compound 67)
Show SMILES CNC1CN(C1)c1nc2ncc(Cl)c(Cl)c2n2cnnc12
Show InChI InChI=1S/C12H11Cl2N7/c1-15-6-3-20(4-6)11-12-19-17-5-21(12)9-8(14)7(13)2-16-10(9)18-11/h2,5-6,15H,3-4H2,1H3
PDB

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UniChem
US Patent
n/an/a 314n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294413
PNG
(US9586959, Compound 89)
Show SMILES CNC1CN(C1)c1nc2ncc(Br)cc2n2ccnc12
Show InChI InChI=1S/C13H13BrN6/c1-15-9-6-19(7-9)13-12-16-2-3-20(12)10-4-8(14)5-17-11(10)18-13/h2-5,9,15H,6-7H2,1H3
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US Patent
n/an/a 360n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM294370
PNG
(US9586959, Compound 20)
Show SMILES C[C@H]1CN(CCN1C)c1nc2ncc(Cl)cc2n2cnnc12 |r|
Show InChI InChI=1S/C14H16ClN7/c1-9-7-21(4-3-20(9)2)13-14-19-17-8-22(14)11-5-10(15)6-16-12(11)18-13/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 380n/an/an/an/a7.525



C&C RESEARCH LABORATORIES

US Patent


Assay Description
In vitro profiling protein kinases was performed using the HotSpot assay platform. Briefly, specific kinase/substrate pairs along with required cofac...


US Patent US9586959 (2017)


BindingDB Entry DOI: 10.7270/Q2C53NWD
More data for this
Ligand-Target Pair
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