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Compile Data Set for Download or QSAR

Found 331 hits with Last Name = 'masuda' and Initial = 'es'   
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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1.80n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50325991
PNG
(2-(7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-...)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ncccc2C(N)=O)n1
Show InChI InChI=1S/C20H18N6O3/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19/h3-11H,1-2H3,(H2,21,27)(H,23,24,25)
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7.5n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396074
PNG
(CHEMBL2170585)
Show SMILES COc1ccc(cc1OC)-c1cc2nccn2c(Nc2ccc3cn[nH]c3c2)n1
Show InChI InChI=1S/C21H18N6O2/c1-28-18-6-4-13(9-19(18)29-2)16-11-20-22-7-8-27(20)21(25-16)24-15-5-3-14-12-23-26-17(14)10-15/h3-12H,1-2H3,(H,23,26)(H,24,25)
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10n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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30n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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30n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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35n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249090
PNG
(3,3'-(5-fluoropyrimidine-2,4-diyl)bis(azanediyl)di...)
Show SMILES Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
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96n/an/an/an/an/an/an/an/a



Amarit Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


Bioorg Med Chem Lett 25: 2117-21 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.075
BindingDB Entry DOI: 10.7270/Q2R49SFK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50249090
PNG
(3,3'-(5-fluoropyrimidine-2,4-diyl)bis(azanediyl)di...)
Show SMILES Oc1cccc(Nc2ncc(F)c(Nc3cccc(O)c3)n2)c1
Show InChI InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
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96n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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116n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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130n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50290422
PNG
(4-(4-Methyl-piperazin-1-ylmethyl)-N-[3-(4-pyridin-...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2cccc(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C28H29N7O/c1-34-14-16-35(17-15-34)20-21-7-9-22(10-8-21)27(36)31-24-5-2-6-25(18-24)32-28-30-13-11-26(33-28)23-4-3-12-29-19-23/h2-13,18-19H,14-17,20H2,1H3,(H,31,36)(H,30,32,33)
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160n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50396071
PNG
(CHEMBL2170582 | US10828301, Compound R921303)
Show SMILES CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4OC(F)(F)C(=O)Nc4c3)n2)c1
Show InChI InChI=1S/C21H17F3N6O4/c1-25-17(31)10-33-13-4-2-3-11(7-13)28-20-26-9-14(22)18(30-20)27-12-5-6-16-15(8-12)29-19(32)21(23,24)34-16/h2-9H,10H2,1H3,(H,25,31)(H,29,32)(H2,26,27,28,30)
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217n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR4


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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5.00E+3n/an/an/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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n/an/a 2n/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))
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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n/an/a 2n/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))
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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n/an/a 2n/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
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 2.10n/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))
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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n/an/a 2.70n/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))
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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n/an/a 3n/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
3D
3D Structure (crystal)
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))
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))
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))
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))
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))
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))
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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1 |r|
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human mast cell cultures assessed as reduction in Anti-IgG-stimulated FcgammaR-mediated leukotriene LTC4 production by fluoresce...


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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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))
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM60665
PNG
(BDBM50249542 | US9145414, R406 | US9212178, R406)
Show SMILES COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC
Show InChI InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)
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Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ret by biochemical assay


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
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))
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))
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))
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))
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))
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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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))
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))
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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n/an/a 7n/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))
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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n/an/a 8n/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))
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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n/an/a 8n/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
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50126413
PNG
(CHEMBL287478 | N*1*-[7-(4-Morpholin-4-yl-phenyl)-[...)
Show SMILES NCCCNc1nc(cc2ncccc12)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C21H25N5O/c22-8-2-10-24-21-18-3-1-9-23-20(18)15-19(25-21)16-4-6-17(7-5-16)26-11-13-27-14-12-26/h1,3-7,9,15H,2,8,10-14,22H2,(H,24,25)
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Patents


Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
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