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Compile Data Set for Download or QSAR

Found 1132 hits with Last Name = 'taylor' and Initial = 'v'   
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
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50593320
PNG
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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1.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50593319
PNG
(CHEMBL5188333)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1C
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6.00E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589401
PNG
(CHEMBL5169945)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589421
PNG
(CHEMBL5187995)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582250
PNG
(CHEMBL5075301)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccoc1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50593320
PNG
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589432
PNG
(CHEMBL5178313)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C(C)C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582258
PNG
(CHEMBL5094640)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccnc(F)c1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589397
PNG
(CHEMBL5185144)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589400
PNG
(CHEMBL5175590)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(F)c(c2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589414
PNG
(CHEMBL5192205)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccoc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589418
PNG
(CHEMBL5183959)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]nc(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589424
PNG
(CHEMBL5187663)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ncsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582248
PNG
(CHEMBL5076447)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582254
PNG
(CHEMBL5088588)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1F)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589417
PNG
(CHEMBL5198583)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]ncc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589420
PNG
(CHEMBL5181320)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccn(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589423
PNG
(CHEMBL5175829)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2cnn(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589431
PNG
(CHEMBL5200765)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589433
PNG
(CHEMBL5193503)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc3cnn(C(C)C)c3c2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
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n/an/a 4.30n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582257
PNG
(CHEMBL5079737)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cncc(F)c1)C(N)=O |r,c:5|
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582262
PNG
(CHEMBL5087788)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589425
PNG
(CHEMBL5208062)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]cnc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589426
PNG
(CHEMBL5178272)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2ccccc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589428
PNG
(CHEMBL5207689)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2[nH]nc(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582251
PNG
(CHEMBL5079990)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccsc1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582265
PNG
(CHEMBL5091192)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCN(C)CC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589399
PNG
(CHEMBL5201935)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589419
PNG
(CHEMBL5184745)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2cc[nH]c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582249
PNG
(CHEMBL5090193)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C1CC1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589406
PNG
(CHEMBL5188095)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCN(C)CC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM594971
PNG
(US11584758, Compound I-57)
Show SMILES CN1c2nc(ccc2CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1=O)C#CC1(O)CC(F)(F)C1 |r|
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
In this example, compounds of the disclosure were evaluated using a biochemical assay using the ADP-Glo™ technology. ADP-Glo™ (Promega, Madison, Wis....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FB56VP
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50593320
PNG
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582264
PNG
(CHEMBL5093825)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCOCC2)ncc1-c1cccc(F)c1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50582248
PNG
(CHEMBL5076447)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1C)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of TAK1 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589416
PNG
(CHEMBL5177543)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)nc2[nH]cc(C)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM604982
PNG
(US11667643, Compound I-12 | US11667643, Compound I...)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(n1)C(=O)NC1CCc2ccccc2-n2ccnc12
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n/an/a 8.10n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RG8
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM578711
PNG
(US11479543, Compound I-22)
Show SMILES CN1c2cc(Br)ccc2OC[C@H](NC(=O)n2cc(Cc3cccnc3)cn2)C1=O |r|
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n/an/a 8.30n/an/an/an/an/an/a


TBA

Assay Description
ADP-Glo (Promega, Madison, Wis., USA) reagents were thawed at ambient temperature. Kinase Detection Reagent was prepared by mixing kinase detection b...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2BZ698Z
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM594974
PNG
(US11584758, Compound I-60)
Show SMILES CN1c2nc(ccc2CC[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1=O)C#CC(C)(N)C(F)(F)F |r|
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n/an/a 8.5n/an/an/an/an/an/a


TBA

Assay Description
In this example, compounds of the disclosure were evaluated using a biochemical assay using the ADP-Glo™ technology. ADP-Glo™ (Promega, Madison, Wis....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FB56VP
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50593315
PNG
(CHEMBL5209379)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(c1)C(F)F
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50593316
PNG
(CHEMBL5170161)
Show SMILES COc1cc(CF)cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1
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n/an/a 9n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582260
PNG
(CHEMBL5077968)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccc(cc1)C#N)C(N)=O |r,c:5|
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n/an/a 9n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589429
PNG
(CHEMBL5173098)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cc(F)cc(c2)N2CCOCC2)nc2ccn(C(F)F)c12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM604997
PNG
(US11667643, Compound I-29)
Show SMILES Clc1cccc(Cl)c1Cn1cnc(n1)C(=O)NC1CSc2cccn2-n2ccnc12 |w:17.18|
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n/an/a 9.80n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2QV3RG8
More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM594934
PNG
(US11584758, Compound I-20)
Show SMILES CN1c2nc(ccc2OC[C@H](NC(=O)c2cc(Oc3ccccc3)ccn2)C1=O)C#CC1(F)COC1 |r|
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n/an/a 9.90n/an/an/an/an/an/a


TBA

Assay Description
In this example, compounds of the disclosure were evaluated using a biochemical assay using the ADP-Glo™ technology. ADP-Glo™ (Promega, Madison, Wis....


Citation and Details

BindingDB Entry DOI: 10.7270/Q2FB56VP
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582266
PNG
(CHEMBL5094876)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1cccnc1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589396
PNG
(CHEMBL5170107)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccc(cc2)C(=O)N2CCCC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50589405
PNG
(CHEMBL5170085)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2ccnc(c2)N2CCOCC2)nc2ccsc12)C(N)=O |r,c:5|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128900
BindingDB Entry DOI: 10.7270/Q21J9FR3
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582252
PNG
(CHEMBL5085979)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccccc1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50582253
PNG
(CHEMBL5071152)
Show SMILES [H][C@@]12C[C@@]([H])(C=C1)[C@@H]([C@@H]2Nc1nc(Nc2cccc(c2)C(=O)N2CCCC2)ncc1-c1ccncc1)C(N)=O |r,c:5|
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TBA

Assay Description
Inhibition of IRAK4 (unknown origin) in presence of MBP as substrate by ADP-Glo assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00056
BindingDB Entry DOI: 10.7270/Q2028WDG
More data for this
Ligand-Target Pair
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