Found 23 hits of Enzyme Inhibition Constant Data 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 4
(Homo sapiens (Human)) | BDBM50242699
(CHEMBL4060511)Show SMILES O=S(=O)(C1CC1)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:15.20,wD:12.13,(36.95,-11.4,;37.73,-12.74,;38.5,-11.39,;39.06,-13.51,;39.84,-14.84,;40.61,-13.51,;36.4,-13.51,;36.39,-15.05,;35.06,-15.81,;33.74,-15.04,;33.72,-13.5,;35.06,-12.73,;32.4,-15.81,;31.07,-15.05,;29.73,-15.82,;29.74,-17.35,;31.08,-18.12,;32.4,-17.35,;28.41,-18.13,;28.42,-19.67,;29.76,-20.43,;29.77,-21.98,;28.43,-22.75,;27.1,-21.98,;25.77,-22.76,;24.43,-21.99,;24.43,-20.45,;25.76,-19.68,;27.1,-20.44,;23.1,-19.68,;21.76,-18.91,)| Show InChI InChI=1S/C22H28N6O2S/c23-14-16-1-8-21-20(13-16)22(25-15-24-21)26-17-2-4-18(5-3-17)27-9-11-28(12-10-27)31(29,30)19-6-7-19/h1,8,13,15,17-19H,2-7,9-12H2,(H,24,25,26)/t17-,18- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242698
(CHEMBL4069200 | US9932350, 3-54)Show SMILES FC1(F)CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:11.15,wD:8.8,(39.43,-35.02,;38.67,-36.36,;40.21,-36.35,;38.67,-37.9,;37.34,-38.66,;36.01,-37.89,;36,-36.35,;37.34,-35.59,;34.68,-38.66,;33.35,-37.9,;32.01,-38.67,;32.02,-40.2,;33.36,-40.97,;34.68,-40.2,;30.69,-40.98,;30.7,-42.52,;32.04,-43.28,;32.05,-44.83,;30.71,-45.6,;29.38,-44.83,;28.04,-45.61,;26.71,-44.84,;26.71,-43.3,;28.04,-42.53,;29.37,-43.29,;25.38,-42.53,;24.04,-41.76,)| Show InChI InChI=1S/C20H23F2N5/c21-20(22)7-9-27(10-8-20)16-4-2-15(3-5-16)26-19-17-11-14(12-23)1-6-18(17)24-13-25-19/h1,6,11,13,15-16H,2-5,7-10H2,(H,24,25,26)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [125I]-PIPAG to sigma binding site in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242727
(CHEMBL4096446 | US9932350, 3-19)Show SMILES FC1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(39.31,-24.69,;37.97,-25.45,;37.97,-26.99,;36.64,-27.76,;35.31,-26.99,;35.3,-25.45,;36.64,-24.68,;33.98,-27.76,;32.64,-26.99,;31.3,-27.77,;31.32,-29.3,;32.65,-30.07,;33.98,-29.3,;29.99,-30.08,;30,-31.61,;31.33,-32.37,;31.34,-33.92,;30.01,-34.7,;28.67,-33.93,;27.34,-34.71,;26.01,-33.94,;26.01,-32.39,;27.34,-31.62,;28.67,-32.39,;24.68,-31.62,;23.34,-30.85,)| Show InChI InChI=1S/C20H24FN5/c21-15-7-9-26(10-8-15)17-4-2-16(3-5-17)25-20-18-11-14(12-22)1-6-19(18)23-13-24-20/h1,6,11,13,15-17H,2-5,7-10H2,(H,23,24,25)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242697
(CHEMBL4070214 | US9932350, 2-7)Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242696
(CHEMBL4083650 | US9932350, 2-5)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:6.9,wD:3.2,(31.71,-18.38,;30.38,-17.61,;30.38,-16.07,;29.05,-18.38,;27.71,-17.61,;26.37,-18.39,;26.38,-19.92,;27.72,-20.69,;29.05,-19.92,;25.06,-20.69,;25.06,-22.23,;26.4,-22.99,;26.41,-24.54,;25.07,-25.32,;23.74,-24.55,;22.41,-25.33,;21.07,-24.56,;21.07,-23.01,;22.4,-22.24,;23.74,-23.01,;19.74,-22.24,;18.41,-21.48,)| Show InChI InChI=1S/C17H21N5/c1-22(2)14-6-4-13(5-7-14)21-17-15-9-12(10-18)3-8-16(15)19-11-20-17/h3,8-9,11,13-14H,4-7H2,1-2H3,(H,19,20,21)/t13-,14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242700
(CHEMBL4088745 | US9932350, 3-20)Show SMILES CS(=O)(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(38.83,-2.39,;37.49,-1.61,;36.72,-.27,;38.26,-.27,;36.16,-2.38,;36.15,-3.92,;34.83,-4.69,;33.5,-3.92,;33.49,-2.38,;34.83,-1.61,;32.17,-4.69,;30.83,-3.92,;29.49,-4.69,;29.51,-6.23,;30.84,-7,;32.17,-6.23,;28.18,-7,;28.19,-8.54,;29.52,-9.3,;29.53,-10.85,;28.2,-11.62,;26.86,-10.86,;25.53,-11.63,;24.19,-10.86,;24.2,-9.32,;25.53,-8.55,;26.86,-9.31,;22.86,-8.55,;21.52,-7.78,)| Show InChI InChI=1S/C20H26N6O2S/c1-29(27,28)26-10-8-25(9-11-26)17-5-3-16(4-6-17)24-20-18-12-15(13-21)2-7-19(18)22-14-23-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,22,23,24)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242708
(CHEMBL4101649 | US9926330, 1-6)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C(F)(F)F |r,wU:6.9,wD:3.2,(32.24,-34.34,;30.91,-33.57,;30.9,-32.03,;29.57,-34.34,;28.24,-33.57,;26.9,-34.35,;26.91,-35.88,;28.25,-36.65,;29.57,-35.88,;25.58,-36.66,;25.59,-38.2,;26.93,-38.96,;26.94,-40.5,;25.6,-41.28,;24.27,-40.51,;22.94,-41.29,;21.6,-40.52,;21.6,-38.98,;22.93,-38.2,;24.27,-38.97,;20.27,-38.21,;20.27,-36.67,;18.94,-38.98,;18.93,-37.44,)| Show InChI InChI=1S/C17H21F3N4/c1-24(2)13-6-4-12(5-7-13)23-16-14-9-11(17(18,19)20)3-8-15(14)21-10-22-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,21,22,23)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [125I]PIPAG to sigma receptor in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242695
(CHEMBL4068395 | US9932350, 2-6)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(Br)cc12 |r,wU:6.9,wD:3.2,(16.64,-34.34,;15.3,-33.58,;15.3,-32.04,;13.97,-34.35,;12.63,-33.58,;11.3,-34.36,;11.31,-35.89,;12.64,-36.66,;13.97,-35.89,;9.98,-36.66,;9.99,-38.2,;11.32,-38.96,;11.33,-40.51,;10,-41.29,;8.66,-40.52,;7.33,-41.3,;6,-40.53,;6,-38.98,;4.67,-38.21,;7.33,-38.21,;8.66,-38.98,)| Show InChI InChI=1S/C16H21BrN4/c1-21(2)13-6-4-12(5-7-13)20-16-14-9-11(17)3-8-15(14)18-10-19-16/h3,8-10,12-13H,4-7H2,1-2H3,(H,18,19,20)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242706
(CHEMBL4063472)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C1CC1 |r,wU:6.9,wD:3.2,(48.87,-34.99,;47.53,-34.22,;47.53,-32.68,;46.2,-34.99,;44.86,-34.23,;43.52,-35,;43.54,-36.53,;44.87,-37.3,;46.2,-36.53,;42.21,-37.31,;42.22,-38.85,;43.55,-39.61,;43.56,-41.16,;42.23,-41.93,;40.89,-41.17,;39.56,-41.94,;38.22,-41.17,;38.23,-39.63,;39.55,-38.86,;40.89,-39.62,;36.89,-38.86,;36.12,-37.53,;35.35,-38.86,)| Show InChI InChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242701
(CHEMBL4059675 | US9932350, 3-44)Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCCC3)c2c1 |r,wU:11.10,wD:14.17,(2.37,-28.88,;3.71,-29.65,;5.04,-30.42,;5.04,-31.97,;6.38,-32.74,;7.71,-31.96,;9.05,-32.73,;10.38,-31.95,;10.37,-30.4,;9.03,-29.64,;9.03,-28.1,;10.36,-27.33,;10.34,-25.8,;11.68,-25.02,;13.02,-25.79,;13.02,-27.33,;11.69,-28.1,;14.35,-25.02,;15.76,-25.63,;16.79,-24.49,;16.02,-23.16,;14.51,-23.48,;7.71,-30.42,;6.37,-29.65,)| Show InChI InChI=1S/C19H23N5/c20-12-14-3-8-18-17(11-14)19(22-13-21-18)23-15-4-6-16(7-5-15)24-9-1-2-10-24/h3,8,11,13,15-16H,1-2,4-7,9-10H2,(H,21,22,23)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242707
(CHEMBL4099061)Show SMILES CC(C)c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:12.11,wD:15.18,(36.6,-20.41,;36.6,-21.95,;35.27,-22.72,;37.94,-22.72,;37.93,-24.26,;39.27,-25.03,;40.6,-24.26,;41.94,-25.02,;43.27,-24.25,;43.26,-22.7,;41.93,-21.94,;41.92,-20.4,;43.25,-19.62,;43.24,-18.09,;44.57,-17.32,;45.91,-18.08,;45.91,-19.62,;44.58,-20.39,;47.24,-17.31,;48.58,-18.08,;47.24,-15.77,;40.6,-22.71,;39.27,-21.95,)| Show InChI InChI=1S/C19H28N4/c1-13(2)14-5-10-18-17(11-14)19(21-12-20-18)22-15-6-8-16(9-7-15)23(3)4/h5,10-13,15-16H,6-9H2,1-4H3,(H,20,21,22)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242731
(CHEMBL4089544 | US9932350, 2-14)Show SMILES COc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(19.39,-7.66,;19.39,-9.2,;20.73,-9.97,;20.72,-11.51,;22.06,-12.28,;23.39,-11.5,;24.72,-12.27,;26.06,-11.5,;26.05,-9.95,;24.71,-9.19,;24.71,-7.65,;26.03,-6.87,;26.02,-5.34,;27.36,-4.57,;28.7,-5.33,;28.7,-6.87,;27.37,-7.64,;30.03,-4.56,;31.36,-5.33,;30.03,-3.02,;23.39,-9.96,;22.05,-9.2,)| Show InChI InChI=1S/C17H24N4O/c1-21(2)13-6-4-12(5-7-13)20-17-15-10-14(22-3)8-9-16(15)18-11-19-17/h8-13H,4-7H2,1-3H3,(H,18,19,20)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242728
(CHEMBL4087971 | US9932350, 3-30)Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(18.28,-33.72,;16.95,-34.49,;16.94,-36.03,;15.61,-36.8,;14.28,-36.03,;14.27,-34.49,;15.61,-33.72,;12.95,-36.8,;11.61,-36.03,;10.28,-36.8,;10.29,-38.34,;11.63,-39.11,;12.95,-38.34,;8.96,-39.11,;8.97,-40.65,;10.31,-41.41,;10.31,-42.96,;8.98,-43.73,;7.65,-42.97,;6.31,-43.75,;4.98,-42.98,;4.98,-41.43,;6.31,-40.66,;7.64,-41.43,;3.65,-40.66,;2.31,-39.89,)| Show InChI InChI=1S/C20H26N6/c1-25-8-10-26(11-9-25)17-5-3-16(4-6-17)24-20-18-12-15(13-21)2-7-19(18)22-14-23-20/h2,7,12,14,16-17H,3-6,8-11H2,1H3,(H,22,23,24)/t16-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [3H]DTG to sigma receptor in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242730
(CHEMBL4072093 | US9926330, 4-1)Show SMILES CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(36.06,-7.59,;36.07,-9.13,;37.4,-9.9,;37.4,-11.45,;38.73,-12.22,;40.06,-11.44,;41.4,-12.2,;42.73,-11.43,;42.73,-9.88,;41.39,-9.12,;41.38,-7.58,;42.71,-6.8,;42.7,-5.27,;44.03,-4.5,;45.37,-5.26,;45.37,-6.81,;44.05,-7.58,;46.7,-4.49,;48.04,-5.26,;46.7,-2.95,;40.06,-9.89,;38.73,-9.13,)| Show InChI InChI=1S/C18H26N4/c1-4-13-5-10-17-16(11-13)18(20-12-19-17)21-14-6-8-15(9-7-14)22(2)3/h5,10-12,14-15H,4,6-9H2,1-3H3,(H,19,20,21)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242725
(CHEMBL4097259 | US9926330, 1-2)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(C)cc12 |r,wU:6.9,wD:3.2,(15.3,-18.44,;13.96,-17.67,;13.96,-16.13,;12.63,-18.44,;11.3,-17.67,;9.96,-18.45,;9.97,-19.98,;11.31,-20.75,;12.63,-19.98,;8.64,-20.76,;8.65,-22.3,;9.99,-23.06,;10,-24.6,;8.66,-25.38,;7.33,-24.61,;5.99,-25.39,;4.66,-24.62,;4.66,-23.08,;3.33,-22.31,;5.99,-22.31,;7.33,-23.07,)| Show InChI InChI=1S/C17H24N4/c1-12-4-9-16-15(10-12)17(19-11-18-16)20-13-5-7-14(8-6-13)21(2)3/h4,9-11,13-14H,5-8H2,1-3H3,(H,18,19,20)/t13-,14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242702
(CHEMBL4082572 | US9932350, 1-1)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:4.7,wD:1.0,(14.11,-3.62,;12.78,-4.39,;11.44,-3.63,;10.11,-4.4,;10.12,-5.93,;11.46,-6.7,;12.78,-5.93,;8.79,-6.71,;8.8,-8.25,;10.13,-9.01,;10.14,-10.56,;8.81,-11.33,;7.47,-10.56,;6.14,-11.34,;4.81,-10.57,;4.81,-9.03,;6.14,-8.26,;7.47,-9.02,;3.48,-8.26,;2.14,-7.48,)| Show InChI InChI=1S/C15H17N5/c16-8-10-1-6-14-13(7-10)15(19-9-18-14)20-12-4-2-11(17)3-5-12/h1,6-7,9,11-12H,2-5,17H2,(H,18,19,20)/t11-,12- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242694
(CHEMBL4060699 | US9932350, 3-1)Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC3)c2c1 |r,wU:11.10,wD:14.17,(1.49,-18.86,;2.83,-19.63,;4.17,-20.4,;4.16,-21.94,;5.5,-22.72,;6.83,-21.94,;8.17,-22.7,;9.5,-21.93,;9.49,-20.38,;8.16,-19.62,;8.15,-18.08,;9.48,-17.3,;9.46,-15.77,;10.8,-15,;12.14,-15.76,;12.14,-17.31,;10.81,-18.08,;13.47,-14.99,;14.95,-15.39,;15.35,-13.9,;13.86,-13.5,;6.83,-20.39,;5.49,-19.63,)| Show InChI InChI=1S/C18H21N5/c19-11-13-2-7-17-16(10-13)18(21-12-20-17)22-14-3-5-15(6-4-14)23-8-1-9-23/h2,7,10,12,14-15H,1,3-6,8-9H2,(H,20,21,22)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242726
(CHEMBL4079234)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Oc1ncnc2ccc(cc12)[N+]([O-])=O |r,wU:6.9,wD:3.2,(16.35,-5.22,;15.01,-4.45,;15.01,-2.91,;13.68,-5.22,;12.35,-4.46,;11.01,-5.23,;11.02,-6.76,;12.36,-7.53,;13.68,-6.76,;9.69,-7.54,;9.7,-9.08,;11.04,-9.84,;11.05,-11.39,;9.71,-12.16,;8.38,-11.39,;7.04,-12.17,;5.71,-11.4,;5.71,-9.86,;7.04,-9.09,;8.37,-9.85,;4.38,-9.09,;4.38,-7.55,;3.04,-9.86,)| Show InChI InChI=1S/C16H20N4O3/c1-19(2)11-3-6-13(7-4-11)23-16-14-9-12(20(21)22)5-8-15(14)17-10-18-16/h5,8-11,13H,3-4,6-7H2,1-2H3/t11-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242729
(CHEMBL4090409 | US9932350, 2-4)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(F)c(F)cc12 |r,wU:6.9,wD:3.2,(67.11,-17.99,;65.78,-17.22,;65.77,-15.68,;64.44,-17.99,;63.11,-17.22,;61.77,-18,;61.78,-19.53,;63.12,-20.3,;64.44,-19.53,;60.45,-20.31,;60.46,-21.85,;61.8,-22.6,;61.81,-24.15,;60.47,-24.93,;59.14,-24.16,;57.81,-24.94,;56.47,-24.17,;55.14,-24.94,;56.47,-22.62,;55.14,-21.86,;57.8,-21.85,;59.14,-22.62,)| Show InChI InChI=1S/C16H20F2N4/c1-22(2)11-5-3-10(4-6-11)21-16-12-7-13(17)14(18)8-15(12)19-9-20-16/h7-11H,3-6H2,1-2H3,(H,19,20,21)/t10-,11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242703
(CHEMBL4069378 | US9926330, 1-1)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2cc(C)c(C)cc12 |r,wU:6.9,wD:3.2,(69.5,-34.15,;68.16,-33.38,;68.16,-31.84,;66.83,-34.15,;65.49,-33.38,;64.16,-34.16,;64.17,-35.69,;65.51,-36.46,;66.83,-35.69,;62.84,-36.47,;62.85,-38.01,;64.18,-38.77,;64.19,-40.32,;62.86,-41.09,;61.52,-40.32,;60.19,-41.1,;58.86,-40.33,;57.52,-41.1,;58.86,-38.79,;57.52,-38.02,;60.19,-38.02,;61.52,-38.78,)| Show InChI InChI=1S/C18H26N4/c1-12-9-16-17(10-13(12)2)19-11-20-18(16)21-14-5-7-15(8-6-14)22(3)4/h9-11,14-15H,5-8H2,1-4H3,(H,19,20,21)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50242705
(CHEMBL4091329 | US9932350, 2-3)Show SMILES COc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2cc1OC |r,wU:10.9,wD:13.16,(54.59,-10.73,;55.92,-11.5,;57.26,-10.73,;58.59,-11.5,;59.92,-10.73,;61.26,-11.49,;62.59,-10.72,;62.58,-9.17,;61.25,-8.41,;61.24,-6.87,;62.57,-6.09,;62.56,-4.56,;63.89,-3.79,;65.23,-4.56,;65.23,-6.1,;63.9,-6.87,;66.56,-3.78,;67.9,-4.55,;66.56,-2.24,;59.92,-9.18,;58.59,-8.42,;57.26,-9.19,;55.93,-8.42,;54.59,-9.19,)| Show InChI InChI=1S/C18H26N4O2/c1-22(2)13-7-5-12(6-8-13)21-18-14-9-16(23-3)17(24-4)10-15(14)19-11-20-18/h9-13H,5-8H2,1-4H3,(H,19,20,21)/t12-,13- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length GST tagged IRAK4 expressed in baculovirus infected Sf9 cells using RP7030 peptide as substrate after 30 m... |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Rattus norvegicus) | BDBM50242697
(CHEMBL4070214 | US9932350, 2-7)Show SMILES N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:11.10,wD:14.17,(43.91,-7.07,;45.25,-7.84,;46.58,-8.61,;46.58,-10.16,;47.91,-10.93,;49.24,-10.15,;50.58,-10.92,;51.91,-10.14,;51.9,-8.59,;50.57,-7.83,;50.56,-6.29,;51.89,-5.52,;51.87,-3.99,;53.21,-3.21,;54.55,-3.98,;54.55,-5.52,;53.22,-6.29,;55.88,-3.21,;57.21,-3.98,;58.54,-3.21,;58.54,-1.67,;57.21,-.9,;55.87,-1.67,;49.24,-8.61,;47.91,-7.84,)| Show InChI InChI=1S/C19H23N5O/c20-12-14-1-6-18-17(11-14)19(22-13-21-18)23-15-2-4-16(5-3-15)24-7-9-25-10-8-24/h1,6,11,13,15-16H,2-5,7-10H2,(H,21,22,23)/t15-,16- | PDB
UniProtKB/TrEMBL
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of specific binding of [3H]DTG to sigma binding site in Guinea pig brain membranes |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Rattus norvegicus) | BDBM50242696
(CHEMBL4083650 | US9932350, 2-5)Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:6.9,wD:3.2,(31.71,-18.38,;30.38,-17.61,;30.38,-16.07,;29.05,-18.38,;27.71,-17.61,;26.37,-18.39,;26.38,-19.92,;27.72,-20.69,;29.05,-19.92,;25.06,-20.69,;25.06,-22.23,;26.4,-22.99,;26.41,-24.54,;25.07,-25.32,;23.74,-24.55,;22.41,-25.33,;21.07,-24.56,;21.07,-23.01,;22.4,-22.24,;23.74,-23.01,;19.74,-22.24,;18.41,-21.48,)| Show InChI InChI=1S/C17H21N5/c1-22(2)14-6-4-13(5-7-14)21-17-15-9-12(10-18)3-8-16(15)19-11-20-17/h3,8-9,11,13-14H,4-7H2,1-2H3,(H,19,20,21)/t13-,14- | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IRAK4 in Lewis rat whole blood assessed as reduction in R848-stimulated TNF alpha production after 4 hrs |
Bioorg Med Chem Lett 27: 2721-2726 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.050
BindingDB Entry DOI: 10.7270/Q2RR21NQ |
More data for this
Ligand-Target Pair | |
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