BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2161 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 4


(Homo sapiens (Human))
BDBM50040805
PNG
(CHEMBL3361255)
Show SMILES NC(=O)[C@@H](O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12
Show InChI InChI=1/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50040726
PNG
(CHEMBL1236126)
Show SMILES CC(C)(C)C(=O)Oc1ccc2n(CCCO)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1
Show InChI InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
PDB
Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


J Med Chem 58: 96-110 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040806
PNG
(CHEMBL3361254)
Show SMILES NC(=O)C[C@H]1CCc2sc3ncnc(O[C@H]4CC[C@@H](CC4)N4CCOCC4)c3c12
Show InChI InChI=1/C21H28N4O3S/c22-17(26)11-13-1-6-16-18(13)19-20(23-12-24-21(19)29-16)28-15-4-2-14(3-5-15)25-7-9-27-10-8-25/h12-15H,1-11H2,(H2,22,26)/t13-,14-,15-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50355469
PNG
(CHEMBL1835744)
Show SMILES Nc1nc(Nc2ccccc2Cl)nn1-c1ccc(cn1)C#N
Show InChI InChI=1S/C14H10ClN7/c15-10-3-1-2-4-11(10)19-14-20-13(17)22(21-14)12-6-5-9(7-16)8-18-12/h1-6,8H,(H3,17,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
36n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50355464
PNG
(CHEMBL1835740)
Show SMILES COc1ccc(Nc2nc(N)n(n2)-c2ccccn2)cc1OC
Show InChI InChI=1S/C15H16N6O2/c1-22-11-7-6-10(9-12(11)23-2)18-15-19-14(16)21(20-15)13-5-3-4-8-17-13/h3-9H,1-2H3,(H3,16,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
43n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50040807
PNG
(CHEMBL3361252)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2sc3CCCc3c12
Show InChI InChI=1/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
50n/an/an/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids) assessed as reduction in phosphorylated substrates by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50355479
PNG
(CHEMBL1835746)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1cc(NCCN(C)C)ncn1
Show InChI InChI=1S/C17H23N9O/c1-25(2)9-8-19-14-10-15(21-11-20-14)26-16(18)23-17(24-26)22-12-6-4-5-7-13(12)27-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,21)(H3,18,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
78n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50355467
PNG
(CHEMBL1833992)
Show SMILES COc1ccc(cc1Nc1nc(N)n(n1)-c1ccccn1)N1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c1-26-15-6-5-13(24-8-10-27-11-9-24)12-14(15)21-18-22-17(19)25(23-18)16-4-2-3-7-20-16/h2-7,12H,8-11H2,1H3,(H3,19,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
160n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50355470
PNG
(CHEMBL1835745)
Show SMILES COc1cc(ccc1Nc1nc(N)n(n1)-c1ccc(cn1)C#N)N1CCOCC1
Show InChI InChI=1S/C19H20N8O2/c1-28-16-10-14(26-6-8-29-9-7-26)3-4-15(16)23-19-24-18(21)27(25-19)17-5-2-13(11-20)12-22-17/h2-5,10,12H,6-9H2,1H3,(H3,21,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
340n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50355465
PNG
(CHEMBL1835741)
Show SMILES COc1ccccc1Nc1nc(N)n(n1)-c1ccccn1
Show InChI InChI=1S/C14H14N6O/c1-21-11-7-3-2-6-10(11)17-14-18-13(15)20(19-14)12-8-4-5-9-16-12/h2-9H,1H3,(H3,15,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
420n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50355468
PNG
(CHEMBL1835743)
Show SMILES Nc1nc(Nc2cc(ccc2F)N2CCOCC2)nn1-c1ccccn1
Show InChI InChI=1S/C17H18FN7O/c18-13-5-4-12(24-7-9-26-10-8-24)11-14(13)21-17-22-16(19)25(23-17)15-3-1-2-6-20-15/h1-6,11H,7-10H2,(H3,19,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
440n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50313050
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(3-methoxyphenyl)hydr...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccc(OC)c1
Show InChI InChI=1S/C17H16N4O3/c1-23-13-8-6-11(7-9-13)15-16(17(22)21-19-15)20-18-12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H2,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
690n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)

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


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


J Med Chem 54: 2341-50 (2011)

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


(Homo sapiens (Human))
BDBM50313061
PNG
((Z)-3-(4-methoxypyridin-3-yl)-4-(2-phenylhydrazono...)
Show SMILES COc1ccncc1-c1[nH][nH]c(=O)c1N=Nc1ccccc1
Show InChI InChI=1S/C15H13N5O2/c1-22-12-7-8-16-9-11(12)13-14(15(21)20-18-13)19-17-10-5-3-2-4-6-10/h2-9H,1H3,(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)

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


(Homo sapiens (Human))
BDBM50355466
PNG
(CHEMBL1835742)
Show SMILES Nc1nc(Nc2ccccc2Cl)nn1-c1ccccn1
Show InChI InChI=1S/C13H11ClN6/c14-9-5-1-2-6-10(9)17-13-18-12(15)20(19-13)11-7-3-4-8-16-11/h1-8H,(H3,15,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.20E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 by spectrophotometry


J Med Chem 54: 7184-92 (2011)

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


(Homo sapiens (Human))
BDBM50313051
PNG
((Z)-3-(4-methoxyphenyl)-4-(2-(pyridin-3-yl)hydrazo...)
Show SMILES COc1ccc(cc1)-c1[nH][nH]c(=O)c1N=Nc1cccnc1
Show InChI InChI=1S/C15H13N5O2/c1-22-12-6-4-10(5-7-12)13-14(15(21)20-18-13)19-17-11-3-2-8-16-9-11/h2-9H,1H3,(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 20: 1661-4 (2010)

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


(Homo sapiens (Human))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)

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


(Homo sapiens (Human))
BDBM50067533
PNG
(CHEMBL3401984)
Show SMILES OCC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H23F2N5O2/c22-12-5-13-14(7-25-19(13)24-6-12)20-26-8-15(23)21(28-20)27-18-11-3-1-10(2-4-11)17(18)16(30)9-29/h5-8,10-11,16-18,29-30H,1-4,9H2,(H,24,25)(H,26,27,28)/t10?,11?,16?,17-,18+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
2.70E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067537
PNG
(CHEMBL3401987)
Show SMILES CC(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H23F2N5O/c1-10(29)17-11-2-4-12(5-3-11)18(17)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-12,17-18,29H,2-5H2,1H3,(H,24,25)(H,26,27,28)/t10?,11?,12?,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067542
PNG
(CHEMBL3401976)
Show SMILES OP(O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C19H20F2N5O3P/c20-11-5-12-13(7-23-17(12)22-6-11)18-24-8-14(21)19(26-18)25-15-9-1-3-10(4-2-9)16(15)30(27,28)29/h5-10,15-16H,1-4H2,(H,22,23)(H,24,25,26)(H2,27,28,29)/t9?,10?,15-,16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067515
PNG
(CHEMBL3401979)
Show SMILES Oc1cc(no1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)32-30-16/h5-11,18-19,31H,1-4H2,(H,25,26)(H,27,28,29)/t10?,11?,18-,19+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067517
PNG
(CHEMBL3401980)
Show SMILES CC(=O)NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H22F2N6O3S/c1-10(30)29-33(31,32)18-12-4-2-11(3-5-12)17(18)27-21-16(23)9-26-20(28-21)15-8-25-19-14(15)6-13(22)7-24-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,24,25)(H,29,30)(H,26,27,28)/t11?,12?,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067513
PNG
(CHEMBL3401977)
Show SMILES OP(O)(=O)CC[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H24F2N5O3P/c22-13-7-15-16(9-25-19(15)24-8-13)20-26-10-17(23)21(28-20)27-18-12-3-1-11(2-4-12)14(18)5-6-32(29,30)31/h7-12,14,18H,1-6H2,(H,24,25)(H,26,27,28)(H2,29,30,31)/t11?,12?,14-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067514
PNG
(CHEMBL3401978)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4Cn4oc(=O)[nH]c4=O)n3)c2c1
Show InChI InChI=1/C22H21F2N7O3/c23-12-5-13-14(7-26-18(13)25-6-12)19-27-8-16(24)20(29-19)28-17-11-3-1-10(2-4-11)15(17)9-31-21(32)30-22(33)34-31/h5-8,10-11,15,17H,1-4,9H2,(H,25,26)(H,27,28,29)(H,30,32,33)/t10?,11?,15-,17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067531
PNG
(CHEMBL3401983)
Show SMILES NS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C19H20F2N6O2S/c20-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(21)19(27-18)26-15-9-1-3-10(4-2-9)16(15)30(22,28)29/h5-10,15-16H,1-4H2,(H,23,24)(H2,22,28,29)(H,25,26,27)/t9?,10?,15-,16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067518
PNG
(CHEMBL3401981)
Show SMILES Oc1cc(on1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H20F2N6O2/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(31)30-32-16/h5-11,18-19H,1-4H2,(H,25,26)(H,30,31)(H,27,28,29)/t10?,11?,18-,19+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067520
PNG
(CHEMBL3401982)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nc(=O)o[nH]4)n3)c2c1
Show InChI InChI=1/C21H19F2N7O2/c22-11-5-12-13(7-25-17(12)24-6-11)18-26-8-14(23)19(28-18)27-16-10-3-1-9(2-4-10)15(16)20-29-21(31)32-30-20/h5-10,15-16H,1-4H2,(H,24,25)(H,26,27,28)(H,29,30,31)/t9?,10?,15-,16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067535
PNG
(CHEMBL3401986)
Show SMILES CNC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C21H22F2N6O/c1-24-21(30)16-10-2-4-11(5-3-10)17(16)28-20-15(23)9-27-19(29-20)14-8-26-18-13(14)6-12(22)7-25-18/h6-11,16-17H,2-5H2,1H3,(H,24,30)(H,25,26)(H,27,28,29)/t10?,11?,16-,17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067541
PNG
(CHEMBL3401975)
Show SMILES Fc1cnc2[nH]cc(-c3ncc(F)c(N[C@H]4C5CCC(CC5)[C@@H]4c4nnn[nH]4)n3)c2c1
Show InChI InChI=1/C20H19F2N9/c21-11-5-12-13(7-24-17(12)23-6-11)18-25-8-14(22)19(27-18)26-16-10-3-1-9(2-4-10)15(16)20-28-30-31-29-20/h5-10,15-16H,1-4H2,(H,23,24)(H,25,26,27)(H,28,29,30,31)/t9?,10?,15-,16-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50258287
PNG
(CHEMBL493169 | N-(piperidin-4-yl)-3-(3-(trifluorom...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(NC3CCNCC3)nn12
Show InChI InChI=1S/C17H17F3N6/c18-17(19,20)12-3-1-2-11(10-12)16-24-23-15-5-4-14(25-26(15)16)22-13-6-8-21-9-7-13/h1-5,10,13,21H,6-9H2,(H,22,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)

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


(Homo sapiens (Human))
BDBM50067539
PNG
(CHEMBL3401989)
Show SMILES Cc1nnc(o1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c1-10-30-31-22(32-10)17-11-2-4-12(5-3-11)18(17)28-21-16(24)9-27-20(29-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,28,29)/t11?,12?,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067538
PNG
(CHEMBL3401988)
Show SMILES Cc1noc(n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c1-10-28-22(32-31-10)17-11-2-4-12(5-3-11)18(17)29-21-16(24)9-27-20(30-21)15-8-26-19-14(15)6-13(23)7-25-19/h6-9,11-12,17-18H,2-5H2,1H3,(H,25,26)(H,27,29,30)/t11?,12?,17-,18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067534
PNG
(CHEMBL3401985)
Show SMILES Oc1cc([nH]n1)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C22H21F2N7O/c23-12-5-13-14(8-26-20(13)25-7-12)21-27-9-15(24)22(29-21)28-19-11-3-1-10(2-4-11)18(19)16-6-17(32)31-30-16/h5-11,18-19H,1-4H2,(H,25,26)(H,27,28,29)(H2,30,31,32)/t10?,11?,18-,19+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50067540
PNG
(CHEMBL3401990)
Show SMILES CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(ncc1F)-c1c[nH]c2ncc(F)cc12
Show InChI InChI=1/C20H21F2N5O2S/c1-30(28,29)17-11-4-2-10(3-5-11)16(17)26-20-15(22)9-25-19(27-20)14-8-24-18-13(14)6-12(21)7-23-18/h6-11,16-17H,2-5H2,1H3,(H,23,24)(H,25,26,27)/t10?,11?,16-,17-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 1990-4 (2015)

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


(Homo sapiens (Human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>9.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant IRAK4 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)

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


(Homo sapiens (Human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
>9.92E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4


Bioorg Med Chem Lett 17: 6593-601 (2007)

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


(Homo sapiens (Human))
BDBM50040792
PNG
(CHEMBL3353195)
Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CCOCC1
Show InChI InChI=1/C25H31N7O3S/c1-26-23(33)15-2-4-16(5-3-15)30-24(34)18-13-27-22(12-20(18)29-17-8-10-35-11-9-17)31-21-7-6-19-25(32-21)36-14-28-19/h6-7,12-17H,2-5,8-11H2,1H3,(H,26,33)(H,30,34)(H2,27,29,31,32)/t15-,16-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.00150n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50040790
PNG
(CHEMBL3353197 | US9242975, 27)
Show SMILES CNC(=O)c1nc(sc1C)-c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C
Show InChI InChI=1S/C21H22N6OS2/c1-11(2)25-16-8-18(26-13-5-6-15-17(7-13)29-10-24-15)23-9-14(16)21-27-19(12(3)30-21)20(28)22-4/h5-11H,1-4H3,(H,22,28)(H2,23,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.00180n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50040791
PNG
(CHEMBL3353196)
Show SMILES CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nnc(s1)C(=O)N1CC[C@H](O)C1
Show InChI InChI=1/C22H23N7O2S2/c1-12(2)25-17-8-19(26-13-3-4-16-18(7-13)32-11-24-16)23-9-15(17)20-27-28-21(33-20)22(31)29-6-5-14(30)10-29/h3-4,7-9,11-12,14,30H,5-6,10H2,1-2H3,(H2,23,25,26)/t14-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.00280n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50040793
PNG
(CHEMBL3352825)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
Show InChI InChI=1/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.00560n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50095475
PNG
(CHEMBL3590479)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1S/C23H28N4O3/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)

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


(Homo sapiens (Human))
BDBM50130681
PNG
(CHEMBL3634383)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H21F2N7OS/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28)/t10-,11+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)

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


(Homo sapiens (Human))
BDBM50095475
PNG
(CHEMBL3590479)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F
Show InChI InChI=1S/C23H28N4O3/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)

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


(Homo sapiens (Human))
BDBM50130661
PNG
(CHEMBL3634510)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F
Show InChI InChI=1/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)

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


(Homo sapiens (Human))
BDBM50040872
PNG
(CHEMBL3353189)
Show SMILES Cn1cc(NC(=O)c2coc(n2)-c2ccnc(NCC(F)(F)F)c2)c(n1)C(N)=O
Show InChI InChI=1S/C16H14F3N7O3/c1-26-5-9(12(25-26)13(20)27)23-14(28)10-6-29-15(24-10)8-2-3-21-11(4-8)22-7-16(17,18)19/h2-6H,7H2,1H3,(H2,20,27)(H,21,22)(H,23,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.240n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


J Med Chem 58: 96-110 (2015)

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


(Homo sapiens (Human))
BDBM50095474
PNG
(CHEMBL3590478)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095474
PNG
(CHEMBL3590478)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F
Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
PDB
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50095470
PNG
(CHEMBL3590474)
Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O
Show InChI InChI=1S/C21H25N3O/c1-23(2)14-9-15-25-21-16-20(19-12-7-4-8-13-19)24(22-21)17-18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15,17H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

AffyNet 
Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader


ACS Med Chem Lett 6: 683-8 (2015)

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


(Homo sapiens (Human))
BDBM50130668
PNG
(CHEMBL3634613)
Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1
Show InChI InChI=1/C17H20ClN7OS/c1-25-7-12(15(18)24-25)22-16(26)9-8-27-17-14(9)23-13(6-20-17)21-11-5-3-2-4-10(11)19/h6-8,10-11H,2-5,19H2,1H3,(H,21,23)(H,22,26)/t10-,11+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)

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


(Homo sapiens (Human))
BDBM50040788
PNG
(CHEMBL3353199)
Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1
Show InChI InChI=1/C24H26N6O3S/c1-12-7-15(8-13(2)26-12)27-24-25-10-16(23-29-17-5-3-4-6-19(17)34-23)22(30-24)28-18-9-14(11-31)20(32)21(18)33/h3-8,10,14,18,20-21,31-33H,9,11H2,1-2H3,(H2,25,26,27,28,30)/t14-,18?,20-,21+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) by fluorescence polarization based kinase assay


J Med Chem 58: 96-110 (2015)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 2161 total )  |  Next  |  Last  >>
Jump to: