Found 161 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 3' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560889
(CHEMBL4763746)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)N(C)C6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;46.84,-32.21,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560885
(CHEMBL4788568)Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wD:12.11,15.18,(24.5,-24.9,;23.3,-25.19,;22.45,-24.29,;22.86,-26.66,;23.79,-27.88,;22.93,-29.15,;21.45,-28.71,;20.14,-29.51,;18.78,-28.78,;18.74,-27.25,;20.05,-26.44,;20.01,-24.9,;18.66,-24.17,;18.61,-22.63,;17.26,-21.89,;15.95,-22.7,;16,-24.25,;17.35,-24.98,;14.6,-21.97,;13.28,-22.79,;11.93,-22.05,;11.88,-20.51,;13.2,-19.71,;14.55,-20.44,;10.53,-19.78,;9.48,-20.42,;10.5,-18.55,;21.41,-27.17,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560888
(CHEMBL4749646)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CCN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(12.72,-9.27,;13.1,-10.45,;14.3,-10.7,;12.07,-11.59,;10.53,-11.42,;9.91,-12.83,;11.05,-13.86,;11.04,-15.41,;12.38,-16.18,;13.71,-15.41,;13.72,-13.87,;15.05,-13.1,;16.39,-13.88,;17.72,-13.12,;19.05,-13.89,;19.05,-15.43,;17.71,-16.2,;16.38,-15.42,;20.38,-16.21,;20.37,-17.75,;21.71,-18.53,;23.04,-17.77,;23.04,-16.23,;21.71,-15.44,;24.38,-18.54,;24.37,-19.77,;25.71,-17.77,;27.04,-18.55,;28.39,-17.78,;28.39,-16.55,;29.72,-18.55,;31.05,-17.79,;32.38,-18.56,;32.38,-20.11,;33.71,-20.88,;33.7,-22.42,;35.03,-23.2,;35.02,-24.74,;36.36,-25.52,;37.69,-24.75,;37.7,-23.22,;36.37,-22.43,;39.03,-25.53,;40.36,-24.76,;41.7,-25.54,;41.69,-27.08,;42.84,-28.11,;44.05,-27.86,;42.21,-29.51,;43.05,-30.8,;42.26,-32.12,;43,-33.47,;44.54,-33.5,;45.14,-34.58,;45.33,-32.18,;44.59,-30.83,;45.22,-29.77,;40.67,-29.35,;39.84,-30.27,;40.36,-27.85,;39.02,-27.07,;31.04,-20.87,;29.71,-20.09,;12.38,-13.1,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560887
(CHEMBL4798668)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)N3CCC(CN4CCN(CC4)c4ccc5C(=O)N(C6CCC(=O)NC6=O)C(=O)c5c4)CC3)c12 |r,wU:12.11,15.18,(9.52,-11.75,;9.89,-12.93,;11.08,-13.21,;8.83,-14.06,;7.31,-13.87,;6.65,-15.27,;7.78,-16.32,;7.76,-17.86,;9.08,-18.65,;10.42,-17.9,;10.45,-16.36,;11.8,-15.61,;13.12,-16.41,;14.47,-15.67,;15.79,-16.46,;15.76,-18.01,;14.41,-18.76,;13.09,-17.96,;17.08,-18.81,;17.05,-20.34,;18.37,-21.15,;19.71,-20.4,;19.75,-18.86,;18.42,-18.06,;21.04,-21.19,;21.01,-22.43,;22.39,-20.44,;23.71,-21.24,;25.06,-20.49,;25.08,-19.26,;26.38,-21.29,;27.72,-20.54,;29.05,-21.34,;29.02,-22.88,;30.34,-23.67,;30.31,-25.22,;31.62,-26.01,;31.58,-27.55,;30.24,-28.3,;28.92,-27.5,;28.96,-25.97,;30.2,-29.84,;28.85,-30.59,;28.81,-32.12,;30.14,-32.93,;30.41,-34.43,;29.56,-35.34,;31.94,-34.63,;32.69,-35.98,;34.22,-35.9,;35.06,-37.19,;34.35,-38.57,;35.03,-39.6,;32.82,-38.65,;31.98,-37.35,;30.75,-37.42,;32.6,-33.24,;33.81,-33.01,;31.48,-32.18,;31.52,-30.64,;27.67,-23.63,;26.35,-22.83,;9.13,-15.57,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560900
(CHEMBL4777817)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:48.51,40.41,15.18,12.11,wD:45.47,(5.49,-18.12,;6.68,-17.83,;7.53,-18.72,;7.12,-16.35,;6.17,-15.13,;7.04,-13.86,;8.52,-14.29,;9.83,-13.48,;11.19,-14.21,;11.23,-15.75,;9.92,-16.56,;9.97,-18.11,;11.33,-18.83,;12.64,-18.02,;14.01,-18.74,;14.06,-20.28,;12.74,-21.09,;11.39,-20.37,;15.42,-21.01,;15.47,-22.55,;16.83,-23.27,;18.15,-22.45,;18.09,-20.91,;16.73,-20.2,;19.51,-23.18,;19.55,-24.41,;20.82,-22.36,;22.17,-23.07,;23.49,-22.25,;23.44,-21.02,;24.85,-22.97,;26.16,-22.16,;27.51,-22.87,;28.83,-22.05,;30.19,-22.77,;31.5,-21.96,;32.86,-22.67,;34.18,-21.86,;34.13,-20.62,;35.53,-22.57,;36.84,-21.75,;38.2,-22.47,;38.25,-23.71,;39.52,-21.66,;39.6,-20.13,;41.09,-19.75,;41.56,-18.6,;41.91,-21.06,;40.93,-22.24,;41.3,-23.74,;40.42,-24.59,;42.79,-24.16,;43.16,-25.66,;44.64,-26.09,;45.02,-27.59,;46.49,-28.01,;47.6,-26.94,;47.23,-25.45,;45.75,-25.02,;49.09,-27.37,;50.28,-26.41,;51.56,-27.27,;51.14,-28.76,;49.6,-28.81,;48.9,-29.83,;36.78,-20.21,;35.29,-20.21,;36.04,-18.92,;38.04,-19.42,;8.56,-15.83,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560886
(CHEMBL4744403)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:12.11,15.18,(8.76,-23.76,;9.96,-24.05,;10.81,-23.15,;10.4,-25.52,;9.47,-26.74,;10.33,-28.01,;11.81,-27.58,;13.12,-28.38,;14.48,-27.64,;14.52,-26.11,;13.2,-25.3,;13.24,-23.77,;14.6,-23.03,;14.65,-21.49,;16,-20.76,;17.31,-21.57,;17.26,-23.11,;15.91,-23.84,;18.66,-20.83,;19.98,-21.65,;21.33,-20.92,;21.38,-19.38,;20.06,-18.57,;18.71,-19.3,;22.73,-18.64,;23.77,-19.29,;22.76,-17.41,;11.85,-26.04,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50246763
(CHEMBL4094760)Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCOCC3)c12 |r,wU:15.15,18.22,(7.34,-17.59,;7.82,-19.04,;6.81,-20.19,;5.29,-19.88,;4.81,-18.42,;5.84,-17.27,;7.29,-21.65,;6.39,-22.91,;7.31,-24.15,;8.77,-23.67,;10.11,-24.44,;11.44,-23.67,;11.44,-22.12,;10.1,-21.36,;10.1,-19.82,;11.43,-19.05,;11.42,-17.51,;12.76,-16.74,;14.1,-17.51,;14.09,-19.05,;12.76,-19.81,;15.43,-16.75,;16.75,-17.52,;18.08,-16.76,;18.1,-15.22,;16.77,-14.45,;15.43,-15.21,;8.77,-22.12,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17+ | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560901
(CHEMBL4779593)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(7.75,-18.31,;8.16,-19.46,;9.37,-19.69,;7.16,-20.63,;5.63,-20.52,;5.04,-21.93,;6.21,-22.93,;6.25,-24.48,;7.61,-25.21,;8.92,-24.41,;8.88,-22.87,;10.19,-22.06,;11.55,-22.8,;12.85,-22,;14.21,-22.75,;14.24,-24.28,;12.93,-25.09,;11.58,-24.34,;15.59,-25.03,;15.63,-26.56,;16.98,-27.31,;18.3,-26.5,;18.26,-24.96,;16.91,-24.22,;19.65,-27.23,;19.68,-28.47,;20.96,-26.43,;22.32,-27.17,;23.63,-26.36,;23.6,-25.13,;24.98,-27.1,;26.3,-26.29,;27.65,-27.03,;28.97,-26.23,;30.32,-26.97,;31.63,-26.16,;32.98,-26.89,;34.3,-26.09,;35.65,-26.83,;36.97,-26.02,;38.32,-26.76,;38.36,-28.3,;39.71,-29.04,;41.02,-28.23,;40.99,-26.7,;42.1,-25.64,;43.31,-25.87,;41.45,-24.25,;42.35,-23,;41.61,-21.65,;42.41,-20.34,;43.95,-20.38,;44.6,-19.33,;44.69,-21.74,;43.88,-23.05,;44.47,-24.13,;39.92,-24.44,;39.07,-23.55,;39.63,-25.95,;7.52,-22.13,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560904
(CHEMBL4791281)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.44,-19.08,;10.79,-20.26,;11.98,-20.55,;9.73,-21.37,;8.2,-21.16,;7.53,-22.55,;8.65,-23.61,;8.6,-25.15,;9.9,-25.96,;11.26,-25.23,;11.31,-23.7,;12.66,-22.97,;13.97,-23.79,;15.33,-23.06,;16.64,-23.88,;16.59,-25.42,;15.23,-26.14,;13.92,-25.32,;17.89,-26.24,;17.84,-27.77,;19.15,-28.59,;20.5,-27.86,;20.56,-26.32,;19.25,-25.51,;21.81,-28.67,;21.78,-29.91,;23.17,-27.94,;24.48,-28.76,;25.84,-28.03,;25.87,-26.8,;27.15,-28.84,;28.5,-28.11,;29.81,-28.93,;31.17,-28.2,;32.48,-29.01,;33.84,-28.28,;35.15,-29.09,;35.1,-30.64,;36.4,-31.45,;37.76,-30.72,;37.81,-29.18,;39,-28.19,;40.19,-28.49,;38.41,-26.76,;39.23,-25.45,;38.39,-24.16,;39.11,-22.8,;40.64,-22.73,;41.22,-21.64,;41.47,-24.03,;40.76,-25.4,;41.42,-26.44,;36.88,-26.87,;36.08,-25.94,;36.51,-28.37,;10,-22.88,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560899
(CHEMBL4754560)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:12.11,15.18,37.38,45.48,wD:42.44,(2.72,-20.47,;3.92,-20.74,;4.76,-19.84,;4.38,-22.21,;3.46,-23.45,;4.35,-24.7,;5.82,-24.25,;7.14,-25.04,;8.49,-24.28,;8.51,-22.74,;7.18,-21.96,;7.21,-20.41,;8.55,-19.66,;8.58,-18.12,;9.93,-17.38,;11.25,-18.16,;11.22,-19.71,;9.88,-20.45,;12.59,-17.42,;13.91,-18.2,;15.26,-17.46,;15.29,-15.92,;13.97,-15.14,;12.62,-15.87,;16.64,-15.17,;16.67,-13.94,;17.96,-15.96,;19.31,-15.24,;20.63,-16.02,;20.61,-17.26,;21.98,-15.29,;23.3,-16.08,;24.64,-15.34,;25.97,-16.13,;27.32,-15.39,;27.35,-14.16,;28.65,-16.18,;29.99,-15.45,;31.32,-16.24,;31.29,-17.47,;32.66,-15.5,;32.83,-13.98,;34.34,-13.68,;34.86,-12.57,;35.09,-15.03,;34.04,-16.15,;34.32,-17.67,;33.39,-18.47,;35.78,-18.18,;36.06,-19.7,;37.52,-20.21,;38.68,-19.2,;40.14,-19.71,;40.42,-21.22,;39.25,-22.22,;37.8,-21.72,;41.87,-21.73,;43.13,-20.85,;44.35,-21.77,;43.84,-23.23,;42.3,-23.2,;41.56,-24.18,;30.02,-13.89,;31.09,-12.8,;31.5,-14.28,;28.97,-13.27,;5.84,-22.71,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560898
(CHEMBL4779139)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:55.58,15.18,12.11,47.48,wD:52.54,(.37,-19.98,;1.57,-20.27,;2.41,-19.38,;2,-21.75,;1.07,-22.97,;1.94,-24.25,;3.41,-23.81,;4.73,-24.62,;6.08,-23.88,;6.13,-22.35,;4.81,-21.54,;4.85,-19.99,;6.22,-19.26,;6.26,-17.72,;7.62,-16.99,;8.93,-17.8,;8.89,-19.34,;7.53,-20.07,;10.29,-17.07,;10.34,-15.53,;11.69,-14.81,;13.01,-15.62,;12.96,-17.15,;11.61,-17.88,;14.38,-14.89,;14.42,-13.65,;15.69,-15.69,;17.05,-14.99,;18.36,-15.79,;18.31,-17.03,;19.71,-15.08,;21.03,-15.89,;22.39,-15.17,;23.7,-15.98,;25.06,-15.26,;26.38,-16.07,;27.74,-15.35,;29.05,-16.16,;30.4,-15.44,;31.71,-16.25,;33.08,-15.54,;34.39,-16.34,;35.74,-15.63,;37.06,-16.44,;38.43,-15.71,;38.47,-14.48,;39.74,-16.52,;41.09,-15.81,;42.41,-16.62,;42.37,-17.86,;43.77,-15.89,;43.96,-14.38,;45.48,-14.1,;46.01,-12.99,;46.2,-15.46,;45.14,-16.58,;45.4,-18.09,;44.45,-18.88,;46.84,-18.63,;47.1,-20.14,;48.56,-20.68,;48.82,-22.2,;50.27,-22.73,;51.45,-21.74,;51.18,-20.21,;49.74,-19.69,;52.9,-22.27,;54.16,-21.4,;55.37,-22.35,;54.85,-23.8,;53.3,-23.74,;52.54,-24.71,;41.14,-14.25,;41.9,-12.93,;42.67,-14.24,;40.09,-13.61,;3.45,-22.26,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560905
(CHEMBL4747690)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCCCCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.73,-18.19,;11.11,-19.36,;12.32,-19.62,;10.09,-20.51,;8.56,-20.35,;7.93,-21.75,;9.08,-22.78,;9.08,-24.32,;10.41,-25.09,;11.74,-24.32,;11.74,-22.78,;13.07,-22.01,;14.41,-22.79,;15.74,-22.02,;17.07,-22.8,;17.07,-24.34,;15.73,-25.11,;14.4,-24.33,;18.39,-25.12,;18.39,-26.66,;19.72,-27.43,;21.06,-26.66,;21.06,-25.12,;19.73,-24.35,;22.39,-27.43,;22.39,-28.66,;23.73,-26.66,;25.06,-27.43,;26.39,-26.66,;26.4,-25.43,;27.73,-27.43,;29.06,-26.67,;30.4,-27.43,;31.73,-26.66,;33.06,-27.44,;34.4,-26.67,;35.73,-27.43,;37.07,-26.66,;38.4,-27.44,;38.4,-28.98,;39.73,-29.75,;41.06,-28.98,;41.07,-27.44,;42.21,-26.42,;43.42,-26.68,;41.59,-25.01,;42.45,-23.74,;41.68,-22.41,;42.44,-21.07,;43.99,-21.07,;44.6,-20.01,;44.76,-22.41,;43.99,-23.74,;44.61,-24.8,;40.06,-25.17,;39.23,-24.25,;39.74,-26.67,;10.41,-22.02,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560890
(CHEMBL4762658)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:49.52,41.42,15.18,12.11,wD:46.48,(-2.98,-8.02,;-2.6,-9.2,;-1.39,-9.45,;-3.62,-10.35,;-5.16,-10.19,;-5.79,-11.61,;-4.63,-12.64,;-4.63,-14.17,;-3.29,-14.95,;-1.96,-14.17,;-1.96,-12.62,;-.62,-11.84,;.71,-12.62,;2.05,-11.85,;3.38,-12.62,;3.39,-14.16,;2.05,-14.94,;.72,-14.16,;4.73,-14.94,;4.73,-16.48,;6.07,-17.24,;7.4,-16.47,;7.4,-14.93,;6.06,-14.17,;8.75,-17.23,;8.76,-18.46,;10.09,-16.46,;11.42,-17.21,;12.75,-16.44,;14.09,-17.19,;15.43,-16.41,;16.76,-17.17,;18.11,-16.39,;19.44,-17.15,;20.78,-16.38,;22.12,-17.14,;23.46,-16.36,;24.79,-17.11,;26.12,-16.34,;26.12,-15.1,;27.44,-17.08,;28.75,-16.32,;30.08,-17.08,;30.1,-18.32,;31.42,-16.31,;31.55,-14.79,;33.06,-14.44,;33.59,-13.29,;33.83,-15.78,;32.82,-16.93,;33.14,-18.44,;32.22,-19.26,;34.58,-18.88,;34.86,-20.36,;36.34,-20.83,;36.67,-22.35,;38.15,-22.81,;39.28,-21.77,;38.95,-20.26,;37.49,-19.79,;40.76,-22.24,;41.99,-21.31,;43.24,-22.21,;42.77,-23.68,;41.21,-23.7,;40.49,-24.7,;28.74,-14.78,;29.81,-14.16,;27.3,-14.79,;28.34,-13.29,;-3.3,-11.85,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560902
(CHEMBL4757434)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(10.47,-15.58,;10.87,-16.74,;12.08,-16.99,;9.85,-17.9,;8.32,-17.76,;7.71,-19.17,;8.87,-20.18,;8.88,-21.73,;10.23,-22.48,;11.55,-21.7,;11.53,-20.16,;12.86,-19.37,;14.2,-20.13,;15.53,-19.34,;16.87,-20.11,;16.88,-21.65,;15.56,-22.43,;14.21,-21.67,;18.22,-22.41,;18.24,-23.94,;19.58,-24.71,;20.9,-23.92,;20.89,-22.38,;19.55,-21.62,;22.24,-24.67,;22.26,-25.91,;23.56,-23.89,;24.91,-24.65,;26.23,-23.86,;26.22,-22.63,;27.58,-24.61,;28.9,-23.83,;30.25,-24.58,;31.57,-23.8,;32.92,-24.56,;34.24,-23.77,;35.58,-24.52,;36.9,-23.74,;38.25,-24.5,;39.57,-23.71,;40.92,-24.46,;42.24,-23.68,;43.59,-24.44,;44.91,-23.65,;44.89,-22.11,;46.21,-21.32,;47.55,-22.08,;47.58,-23.62,;48.73,-24.63,;49.93,-24.36,;48.12,-26.04,;48.91,-27.37,;48.05,-28.65,;48.74,-30.03,;50.28,-30.13,;50.83,-31.23,;51.13,-28.84,;50.44,-27.46,;51.12,-26.44,;46.59,-25.9,;45.78,-26.83,;46.25,-24.41,;10.19,-19.4,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560903
(CHEMBL4746543)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.48,-18.71,;9.89,-19.88,;11.07,-20.13,;8.86,-21.04,;7.33,-20.89,;6.73,-22.3,;7.87,-23.32,;7.89,-24.86,;9.23,-25.62,;10.56,-24.83,;10.55,-23.29,;11.86,-22.51,;13.21,-23.27,;14.53,-22.49,;15.87,-23.25,;15.87,-24.79,;14.56,-25.57,;13.21,-24.81,;17.22,-25.55,;17.23,-27.09,;18.57,-27.85,;19.89,-27.07,;19.88,-25.53,;18.54,-24.77,;21.24,-27.82,;21.25,-29.06,;22.57,-27.04,;23.91,-27.8,;25.24,-27.01,;25.23,-25.78,;26.58,-27.77,;27.91,-26.98,;29.25,-27.73,;30.57,-26.95,;31.92,-27.71,;33.25,-26.93,;34.58,-27.68,;35.91,-26.89,;37.25,-27.65,;38.58,-26.87,;39.93,-27.62,;41.25,-26.84,;42.59,-27.6,;43.92,-26.81,;45.26,-27.57,;46.59,-26.78,;47.93,-27.54,;47.94,-29.08,;49.29,-29.84,;50.61,-29.06,;50.6,-27.51,;51.73,-26.47,;52.94,-26.72,;51.1,-25.07,;52,-23.82,;51.27,-22.47,;52.07,-21.16,;53.61,-21.21,;54.26,-20.15,;54.34,-22.57,;53.53,-23.87,;54.11,-24.95,;49.57,-25.25,;48.73,-24.34,;49.26,-26.75,;9.21,-22.53,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560896
(CHEMBL4763804)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:12.11,15.18,41.42,49.52,wD:46.48,(2.42,-19.63,;1.57,-20.53,;.37,-20.25,;2.02,-22,;1.09,-23.23,;1.97,-24.5,;3.44,-24.05,;4.76,-24.85,;6.11,-24.11,;6.15,-22.57,;4.82,-21.77,;4.87,-20.23,;6.22,-19.49,;6.25,-17.94,;7.61,-17.21,;8.92,-18.01,;8.89,-19.55,;7.53,-20.28,;10.28,-17.27,;10.32,-15.73,;11.67,-15,;12.99,-15.8,;12.95,-17.34,;11.6,-18.07,;14.35,-15.06,;14.38,-13.83,;15.67,-15.86,;17.02,-15.15,;18.34,-15.95,;18.3,-17.18,;19.69,-15.23,;21.01,-16.03,;22.36,-15.3,;23.68,-16.1,;25.03,-15.37,;26.36,-16.17,;27.71,-15.45,;29.03,-16.24,;30.38,-15.51,;30.42,-14.28,;31.71,-16.31,;33.05,-15.6,;34.37,-16.4,;34.33,-17.63,;35.73,-15.66,;35.91,-14.15,;37.43,-13.86,;37.96,-12.75,;38.16,-15.22,;37.1,-16.34,;37.38,-17.86,;36.43,-18.65,;38.83,-18.39,;39.1,-19.91,;40.55,-20.43,;41.73,-19.43,;43.18,-19.95,;43.45,-21.47,;42.28,-22.47,;40.82,-21.94,;44.91,-21.99,;46.15,-21.11,;47.38,-22.05,;46.85,-23.5,;45.32,-23.46,;44.55,-24.43,;33.1,-14.04,;34.18,-12.96,;34.58,-14.44,;32.04,-13.41,;3.48,-22.51,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560897
(CHEMBL4787051)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:15.18,12.11,44.45,52.55,wD:49.51,(2.42,-15.77,;1.57,-14.86,;.37,-15.14,;2.03,-13.39,;1.1,-12.16,;1.98,-10.9,;3.45,-11.34,;4.78,-10.54,;6.13,-11.29,;6.15,-12.83,;4.83,-13.63,;4.86,-15.18,;6.21,-15.92,;7.54,-15.12,;8.88,-15.86,;8.92,-17.4,;7.6,-18.2,;6.25,-17.46,;10.27,-18.15,;11.59,-17.35,;12.94,-18.09,;12.98,-19.62,;11.66,-20.42,;10.31,-19.69,;14.33,-20.36,;14.36,-21.6,;15.66,-19.56,;17,-20.28,;18.32,-19.49,;18.29,-18.25,;19.67,-20.22,;21,-19.42,;22.35,-20.15,;23.67,-19.36,;25.02,-20.09,;26.34,-19.29,;27.69,-20.01,;29.01,-19.22,;30.36,-19.95,;31.68,-19.15,;33.03,-19.88,;34.35,-19.08,;34.32,-17.85,;35.7,-19.81,;37.03,-19.01,;38.38,-19.75,;38.41,-20.99,;39.7,-18.95,;39.8,-17.42,;41.3,-17.06,;41.76,-15.92,;42.1,-18.39,;41.11,-19.55,;41.46,-21.05,;40.56,-21.9,;42.93,-21.49,;43.29,-23,;44.76,-23.44,;45.88,-22.39,;47.37,-22.83,;47.72,-24.33,;46.59,-25.39,;45.11,-24.94,;49.2,-24.77,;50.4,-23.83,;51.67,-24.7,;51.22,-26.18,;49.68,-26.23,;48.98,-27.23,;36.98,-17.47,;38.06,-16.38,;38.46,-17.86,;35.9,-16.89,;3.48,-12.88,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50246769
(CHEMBL4064608)Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17- | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50466824
(CHEMBL4278882)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18- | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560892
(CHEMBL4752190)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:55.58,47.48,12.11,15.18,wD:52.54,(4.71,-11.83,;3.52,-11.59,;3.13,-10.42,;2.51,-12.74,;.99,-12.6,;.38,-14.01,;1.54,-15.02,;1.55,-16.54,;2.88,-17.3,;4.2,-16.51,;4.19,-14.99,;5.51,-14.2,;6.83,-14.95,;8.16,-14.18,;9.48,-14.93,;9.5,-16.46,;8.18,-17.25,;6.85,-16.49,;10.83,-17.22,;12.15,-16.45,;13.49,-17.19,;13.5,-18.72,;12.19,-19.5,;10.86,-18.75,;14.85,-19.49,;14.84,-20.74,;16.19,-18.73,;17.53,-19.49,;18.88,-18.73,;20.22,-19.5,;21.57,-18.73,;22.91,-19.5,;24.26,-18.74,;25.6,-19.51,;26.95,-18.74,;28.29,-19.51,;29.64,-18.75,;30.97,-19.51,;32.33,-18.75,;33.66,-19.52,;35.01,-18.75,;36.35,-19.52,;37.7,-18.76,;39.04,-19.53,;40.39,-18.76,;40.39,-17.52,;41.73,-19.53,;43.08,-18.76,;44.42,-19.53,;44.42,-20.78,;45.76,-18.77,;45.91,-17.23,;47.43,-16.91,;47.93,-15.78,;48.19,-18.26,;47.17,-19.41,;47.48,-20.93,;46.54,-21.75,;48.96,-21.41,;49.27,-22.93,;50.74,-23.42,;51.06,-24.94,;52.54,-25.43,;53.69,-24.39,;53.37,-22.87,;51.9,-22.39,;55.17,-24.88,;56.4,-23.96,;57.65,-24.88,;57.18,-26.35,;55.62,-26.35,;54.88,-27.34,;43.07,-17.2,;44.15,-16.12,;44.55,-17.59,;42,-16.59,;2.85,-14.23,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560895
(CHEMBL4753038)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(.69,-11.31,;1.1,-12.46,;2.31,-12.68,;.11,-13.64,;-1.42,-13.52,;-2.01,-14.95,;-.85,-15.94,;-.8,-17.48,;.56,-18.21,;1.87,-17.4,;1.83,-15.86,;3.14,-15.05,;4.49,-15.79,;5.81,-14.98,;7.16,-15.72,;7.2,-17.26,;5.9,-18.07,;4.54,-17.33,;8.56,-18,;8.61,-19.53,;9.96,-20.27,;11.27,-19.46,;11.23,-17.92,;9.87,-17.19,;12.63,-20.19,;12.66,-21.42,;13.94,-19.38,;15.3,-20.11,;16.61,-19.3,;17.96,-20.03,;19.27,-19.22,;20.63,-19.95,;21.94,-19.14,;23.3,-19.88,;24.61,-19.06,;25.97,-19.8,;27.28,-18.99,;28.64,-19.72,;29.95,-18.91,;31.3,-19.64,;32.61,-18.83,;33.97,-19.56,;35.28,-18.75,;36.65,-19.48,;37.96,-18.67,;37.91,-17.13,;39.22,-16.32,;40.57,-17.05,;40.63,-18.59,;41.79,-19.58,;42.99,-19.28,;41.21,-21,;42.03,-22.32,;41.2,-23.61,;41.9,-24.98,;43.44,-25.04,;44.01,-26.14,;44.27,-23.75,;43.56,-22.38,;44.22,-21.34,;39.68,-20.89,;38.89,-21.83,;39.31,-19.4,;.47,-15.13,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560893
(CHEMBL4743058)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(9.65,-9.97,;10.01,-11.15,;11.21,-11.41,;8.97,-12.28,;7.45,-12.1,;6.8,-13.5,;7.93,-14.54,;7.91,-16.08,;9.24,-16.87,;10.58,-16.11,;10.6,-14.57,;11.94,-13.82,;13.27,-14.61,;14.62,-13.85,;15.93,-14.65,;15.92,-16.19,;14.57,-16.94,;13.25,-16.15,;17.24,-16.97,;17.21,-18.52,;18.54,-19.31,;19.88,-18.55,;19.91,-17.01,;18.58,-16.22,;21.21,-19.34,;21.19,-20.57,;22.55,-18.58,;23.88,-19.37,;25.23,-18.61,;26.55,-19.4,;27.89,-18.64,;29.22,-19.43,;30.56,-18.67,;31.89,-19.46,;33.23,-18.71,;34.56,-19.49,;35.9,-18.74,;37.23,-19.52,;38.57,-18.77,;38.59,-17.22,;39.93,-16.47,;41.25,-17.25,;41.24,-18.79,;42.37,-19.83,;43.58,-19.58,;41.74,-21.23,;42.49,-22.58,;41.6,-23.83,;42.25,-25.23,;43.79,-25.36,;44.31,-26.48,;44.67,-24.1,;44.02,-22.7,;44.72,-21.69,;40.2,-21.06,;39.37,-21.96,;39.9,-19.55,;9.27,-13.79,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560894
(CHEMBL4778668)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)CCOCCOCCOCCOCCNc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)c12 |r,wU:12.11,15.18,(4.12,-15.5,;4.54,-16.67,;5.75,-16.88,;3.55,-17.84,;2.02,-17.72,;1.42,-19.15,;2.59,-20.14,;2.64,-21.68,;3.99,-22.41,;5.31,-21.6,;5.26,-20.07,;6.58,-19.26,;7.92,-19.99,;9.23,-19.18,;10.59,-19.93,;10.63,-21.46,;9.32,-22.27,;7.96,-21.53,;11.99,-22.2,;12.02,-23.74,;13.38,-24.48,;14.69,-23.67,;14.65,-22.13,;13.3,-21.39,;16.05,-24.4,;16.09,-25.63,;17.36,-23.59,;18.72,-24.33,;20.03,-23.52,;21.38,-24.24,;22.69,-23.43,;24.05,-24.16,;25.37,-23.36,;26.72,-24.09,;28.03,-23.28,;29.39,-24.01,;30.7,-23.2,;32.06,-23.93,;33.37,-23.13,;34.73,-23.86,;36.04,-23.05,;37.4,-23.78,;37.43,-25.32,;38.79,-26.06,;40.1,-25.25,;40.06,-23.71,;41.18,-22.65,;42.39,-22.87,;40.51,-21.26,;41.25,-19.91,;40.34,-18.66,;40.97,-17.25,;42.5,-17.1,;43,-15.97,;43.4,-18.34,;42.77,-19.75,;43.5,-20.75,;38.99,-21.47,;38.14,-20.57,;38.71,-22.98,;3.92,-19.33,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50560891
(CHEMBL4750934)Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@H](CC3)N3CCN(CC3)C(=O)COCCOCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)c12 |r,wU:15.18,12.11,52.55,wD:44.45,49.51,(3.82,-8.57,;4.2,-9.74,;5.4,-10,;3.16,-10.9,;1.62,-10.73,;1,-12.14,;2.15,-13.18,;2.14,-14.71,;3.47,-15.5,;4.81,-14.72,;4.82,-13.18,;6.16,-12.41,;7.49,-13.19,;8.84,-12.43,;10.16,-13.2,;10.16,-14.75,;8.82,-15.51,;7.49,-14.74,;11.5,-15.53,;11.5,-17.08,;12.83,-17.84,;14.17,-17.07,;14.17,-15.54,;12.83,-14.77,;15.5,-17.85,;15.5,-19.08,;16.84,-17.09,;18.17,-17.83,;19.51,-17.07,;20.84,-17.83,;22.17,-17.07,;23.51,-17.83,;24.85,-17.06,;26.18,-17.82,;27.52,-17.06,;28.85,-17.82,;30.2,-17.06,;31.52,-17.82,;32.87,-17.05,;34.19,-17.81,;35.54,-17.05,;36.88,-17.81,;36.87,-19.05,;38.19,-17.07,;39.5,-17.81,;40.79,-17.06,;42.09,-17.8,;40.78,-15.56,;39.53,-14.69,;39.99,-13.21,;39.26,-12.22,;41.53,-13.21,;42.02,-14.67,;43.48,-15.14,;43.74,-16.35,;44.61,-14.13,;46.05,-14.6,;47.2,-13.56,;46.87,-12.04,;48.01,-11.01,;49.48,-11.48,;49.81,-12.98,;48.67,-14.04,;50.62,-10.43,;50.43,-8.9,;51.84,-8.28,;52.88,-9.42,;52.12,-10.77,;52.62,-11.9,;39.5,-19.36,;41,-19.36,;40.25,-20.65,;38.43,-19.97,;3.48,-12.4,)| | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tagged IRAK3 expressed in insect cells by Lanthascreen Eu kinase binding... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01125
BindingDB Entry DOI: 10.7270/Q2P84GMZ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM210300
(US9546153, ex. 367)Show SMILES CC(C)Nc1cc(Nc2nc3ccnn3cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O |r| Show InChI InChI=1S/C20H25F2N7O2/c1-11(2)26-14-7-16(27-18-13(21)10-29-17(28-18)5-6-25-29)23-8-12(14)19(30)24-9-15(22)20(3,4)31/h5-8,10-11,15,31H,9H2,1-4H3,(H,24,30)(H2,23,26,27,28)/t15-/m1/s1 | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Biocon Bristol Myers Squibb Research Center
Curated by ChEMBL
| Assay Description
Inhibition of human wild type partial length IRAK3 (147 to 596 residues) expressed in bacterial expression system |
ACS Med Chem Lett 11: 1402-1409 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00082
BindingDB Entry DOI: 10.7270/Q2542S4M |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50401152
(CHEMBL2205766)Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1 Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19) | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cellzome Ltd
Curated by ChEMBL
| Assay Description
Inhibition of IRAK3 |
Bioorg Med Chem Lett 22: 4613-8 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.090
BindingDB Entry DOI: 10.7270/Q2HQ412B |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM5931
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22) | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 2.90E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM4779
(CHEMBL31965 | CHEMBL545315 | CI-1033 | Canertinib ...)Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29) | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 3.00E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
NCI pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM6866
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22) | PDB
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| n/a | n/a | n/a | 3.40E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
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Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM31093
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32) | PDB
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| n/a | n/a | n/a | 1.40E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM31094
(PKC-412 | cid_24202429)Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1 | PDB
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| n/a | n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
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| n/a | n/a | n/a | 1.90E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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| n/a | n/a | n/a | 9.40E+5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM13534
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29) | PDB
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| n/a | n/a | n/a | 5.60E+6 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2G15Z7X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50326053
(CHEMBL608533 | PKC-412)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1 | PDB
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| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50326054
(CHEMBL1240703)Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1 | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
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| n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50300690
(1-(5-Tert-Butyl-1,2-Oxazol-3-Yl)-3-(4-{7-[2-(Morph...)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1 Show InChI InChI=1S/C29H32N6O4S/c1-29(2,3)25-17-26(33-39-25)32-27(36)30-20-6-4-19(5-7-20)22-18-35-23-9-8-21(16-24(23)40-28(35)31-22)38-15-12-34-10-13-37-14-11-34/h4-9,16-18H,10-15H2,1-3H3,(H2,30,32,33,36) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
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PubMed
| n/a | n/a | n/a | 940 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to IRAK3 |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM25013
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[(3S...)Show SMILES CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r| Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1 | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
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| n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50132260
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24) | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM15244
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H | PDB
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM50306682
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | PDB
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| n/a | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM13535
(4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin...)Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1 Show InChI InChI=1S/C31H42N6O4/c1-23(2)41-25-10-8-24(9-11-25)34-31(38)37-17-15-36(16-18-37)30-26-20-28(39-3)29(21-27(26)32-22-33-30)40-19-7-14-35-12-5-4-6-13-35/h8-11,20-23H,4-7,12-19H2,1-3H3,(H,34,38) | PDB
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| n/a | n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 3
(Homo sapiens (Human)) | BDBM13530
(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) | PDB
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CHEMBL
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PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for IRAK3 kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
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