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Patent code US9567320

Compile Data Set for Download or QSAR
Found 29 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
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286259
PNG
(3-[3-(6-Amino-pyridin-3-yl)-6-oxo-6H-pyridazin-1-y...)
Show SMILES Nc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
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MERCK PATENT GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286249
PNG
(N-(1H-Benzoimidazol-2-yl)-3-[3-(6-hydroxymethyl-py...)
Show SMILES OCc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
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MERCK PATENT GmbH

US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286247
PNG
(N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB

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MERCK PATENT GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286217
PNG
(N-(1H-Benzoimidazol-2-yl)-3-(6-oxo-3-pyridin-3-yl-...)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cccnc2)c1
PDB

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MERCK PATENT GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286325
PNG
(N-(5-methoxy-1H-benzo[d]imidazol-2-yl)-3-((6-oxo-3...)
Show SMILES COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB

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MERCK PATENT GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286247
PNG
(N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB
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MERCK PATENT GmbH

US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286212
PNG
(2,2-Dimethyl-propionic acid 2-[3-(6-oxo-3-pyridin-...)
Show SMILES CC(C)(C)C(=O)Oc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
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MERCK PATENT GmbH

US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286326
PNG
(US9567320, Example 17**:)
Show SMILES OCc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB

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MERCK PATENT GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286276
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(4-methylpyridi...)
Show SMILES Cc1ccncc1-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286238
PNG
(N-(5-Hydroxymethyl-1H-benzoimidazol-2-yl)-3-(6-oxo...)
Show SMILES OCc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286326
PNG
(US9567320, Example 17**:)
Show SMILES OCc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286259
PNG
(3-[3-(6-Amino-pyridin-3-yl)-6-oxo-6H-pyridazin-1-y...)
Show SMILES Nc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286238
PNG
(N-(5-Hydroxymethyl-1H-benzoimidazol-2-yl)-3-(6-oxo...)
Show SMILES OCc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286321
PNG
(N-(5,6-dimethoxy-1H-benzo[d]imidazol-2-yl)-3-((6-o...)
Show SMILES COc1cc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2cc1OC
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286276
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(4-methylpyridi...)
Show SMILES Cc1ccncc1-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286306
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(6-methylpyrida...)
Show SMILES Cc1cc(cnn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286321
PNG
(N-(5,6-dimethoxy-1H-benzo[d]imidazol-2-yl)-3-((6-o...)
Show SMILES COc1cc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2cc1OC
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286262
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-(2-cyano-5-(pyridin...)
Show SMILES Cc1cc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)nc1-c1cccnc1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286250
PNG
(N-(1H-Benzoimidazol-2-yl)-3-(6-oxo-3-pyrimidin-5-y...)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cncnc2)c1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286212
PNG
(2,2-Dimethyl-propionic acid 2-[3-(6-oxo-3-pyridin-...)
Show SMILES CC(C)(C)C(=O)Oc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286250
PNG
(N-(1H-Benzoimidazol-2-yl)-3-(6-oxo-3-pyrimidin-5-y...)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cncnc2)c1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286325
PNG
(N-(5-methoxy-1H-benzo[d]imidazol-2-yl)-3-((6-oxo-3...)
Show SMILES COc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286217
PNG
(N-(1H-Benzoimidazol-2-yl)-3-(6-oxo-3-pyridin-3-yl-...)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1cccc(Cn2nc(ccc2=O)-c2cccnc2)c1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286306
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(6-methylpyrida...)
Show SMILES Cc1cc(cnn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286229
PNG
(N-(1-Methyl-1H-benzoimidazol-2-yl)-3-(6-oxo-3-pyri...)
Show SMILES Cn1c(NC(=O)c2cccc(Cn3nc(ccc3=O)-c3cccnc3)c2)nc2ccccc12
Show InChI InChI=1S/C25H20N6O2/c1-30-22-10-3-2-9-21(22)27-25(30)28-24(33)18-7-4-6-17(14-18)16-31-23(32)12-11-20(29-31)19-8-5-13-26-15-19/h2-15H,16H2,1H3,(H,27,28,33)
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286319
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(5-((dimethylam...)
Show SMILES CN(C)Cc1cncc(c1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286268
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(6-((dimethylam...)
Show SMILES CN(C)Cc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM286233
PNG
(2-[3-(6-Oxo-3-pyridin-3-yl-6H-pyridazin-1-ylmethyl...)
Show SMILES COC(=O)c1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
PDB
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US Patent


Assay Description
IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286268
PNG
(N-(1H-benzo[d]imidazol-2-yl)-3-((3-(6-((dimethylam...)
Show SMILES CN(C)Cc1ccc(cn1)-c1ccc(=O)n(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)n1
PDB

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US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK-1 hydrolyses ATP and autophosphorylates.Measurement of IRA...


US Patent US9567320 (2017)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%