Found 330 hits of ic50 for UniProtKB: P51617 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621141
(US20230303563, Compound 216)Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@@H]2CNC[C@H]2F)n1)C(F)(F)F |r| | PDB
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| PC cid
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UniChem
| | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621142
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r| | PDB
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| PC cid
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| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50612188
(CHEMBL5283628)Show SMILES CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1 | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621153
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1)C(F)(F)F |r| | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621150
(2-(3-(3,5-difluoro-6- (((3S,4S)-4- fluoropiperidin...)Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r| | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621149
(US20230303563, Compound 231)Show SMILES COc1cc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2cc1C(C)(C)O |r| | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621142
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1)C(F)(F)F |r| | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621115
(US20230303563, Compound 117)Show SMILES OCc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1C1CC1 |r| | PDB
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| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM538618
(NCGC 00262327 | US11254667, Compound I-20 | US1154...)Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cn[nH]c1 | PDB
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| US Patent
| n/a | n/a | 5.34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621116
(2-(3-(6-(((3S,4S)-4- fluoropyrrolidin-3- yl)amino)...)Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| | PDB
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| | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649901
(US20240043405, Compound 027)Show SMILES C=CC(=O)N1CCC[C@@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r| | PDB
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| | n/a | n/a | 6.37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM588181
(US11542251, Compound TL1)Show SMILES CC(C)N1CCC(CC1)c1cc(NC(=O)c2cccc(c2)-c2ccn[nH]2)n(n1)-c1ccccn1 | PDB
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TBA
| Assay Description
The IRAK1 and IRAK 4 IC50 values for various compounds disclosed herein generated from an Adapta® kinase assay format, and a Z′-LYTE™ kinases a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DB85PV |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621109
(N-((3S,4S)-4-fluoro- pyrrolidin-3-yl)-6-(7- methox...)Show SMILES COc1cc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2cc1-c1cnn(C)c1 |r| | PDB
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| | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621137
(3,5-difluoro-N-((3S,4S)-4- fluoropiperidin-3-yl)-6...)Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1nc(N[C@H]2CNCC[C@@H]2F)c(F)cc1F |r| | PDB
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621161
(N-((3S,4S)-4- fluoropyrrolidin-3-yl)-6-(7- isoprop...)Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| | PDB
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621140
(US20230303563, Compound 215)Show SMILES CC(O)(c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1)C(F)(F)F |r| | PDB
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TBA
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50536679
(CHEMBL4568087)Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r| Show InChI InChI=1S/C21H23N7OS/c1-27-10-15(8-24-27)14-7-23-20-16(9-25-28(20)11-14)13-6-19(30-12-13)21(29)26-18-5-3-2-4-17(18)22/h6-12,17-18H,2-5,22H2,1H3,(H,26,29)/t17-,18+/m0/s1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck and Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged IRAK1 (194 to 712 residues) catalytic domain expressed in baculovirus expression system by Adapta assay |
Bioorg Med Chem Lett 26: 4362-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50561821
(CHEMBL4782804)Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)cc1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of recombinant IRAK1 (unknown origin) by Invitrogen adapta assay |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM588182
(US11542251, Compound TL2)Show SMILES C=CC(=O)Nc1cccc(c1)C(=O)Nc1ccc(NC(=O)c2cccc(c2)-c2ccn[nH]2)cc1 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The IRAK1 and IRAK 4 IC50 values for various compounds disclosed herein generated from an Adapta® kinase assay format, and a Z′-LYTE™ kinases a... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2DB85PV |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50373415
(CHEMBL256713)Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50536675
(CHEMBL4569508)Show SMILES FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H26F3N5O2S/c27-26(28,29)17-31-25(35)23-12-19(16-37-23)22-14-32-34-15-20(13-30-24(22)34)18-4-6-21(7-5-18)36-11-10-33-8-2-1-3-9-33/h4-7,12-16H,1-3,8-11,17H2,(H,31,35) | PDB
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| n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck and Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged IRAK1 (194 to 712 residues) catalytic domain expressed in baculovirus expression system by Adapta assay |
Bioorg Med Chem Lett 26: 4362-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621165
(Exemplary Synthetic Procedure #38 | US20230303563...)Show SMILES F[C@H]1CNC[C@@H]1Nc1cccc(n1)-c1cnc2cc(ccn12)C1CC1 |r| | PDB
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| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621078
(US20230303563, Compound 10)Show SMILES CC1(CC1)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r| | PDB
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| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649909
(US20240043405, Compound 038)Show SMILES FC(F)(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r| | PDB
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| | n/a | n/a | 12.1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649902
(US20240043405, Compound 028)Show SMILES C=CC(=O)N1CCC[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r| | PDB
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| | n/a | n/a | 12.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499105
(CHEMBL3735401)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CC(=O)N(C)C)c1 Show InChI InChI=1S/C28H27N5O2/c1-6-17-10-21-22(11-20(17)18-13-30-33(14-18)15-24(34)32(4)5)28(2,3)27-25(26(21)35)19-8-7-16(12-29)9-23(19)31-27/h7-11,13-14,31H,6,15H2,1-5H3 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of IRAK1 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649894
(US20240043405, Compound 006)Show SMILES C=CC(=O)N[C@@H]1CNCC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1 |r| | PDB
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM86632
(JNK-IN-7)Show SMILES CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1ccc(Nc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C28H27N7O2/c1-35(2)17-5-9-26(36)31-24-8-3-6-20(18-24)27(37)32-22-10-12-23(13-11-22)33-28-30-16-14-25(34-28)21-7-4-15-29-19-21/h3-16,18-19H,17H2,1-2H3,(H,31,36)(H,32,37)(H,30,33,34)/b9-5+ | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of wild-type human partial length IRAK1 (R194 to S712 residues) expressed in mammalian expression system by Kinomescan method |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00378
BindingDB Entry DOI: 10.7270/Q2N01B75 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649910
(US20240043405, Compound 039)Show SMILES FC(F)CN1C[C@H](C[C@H](C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r| | PDB
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| | n/a | n/a | 14.9 | n/a | n/a | n/a | n/a | n/a | n/a |
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Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50500350
(CHEMBL3746678)Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnn(CCCN(C)C)c1 Show InChI InChI=1S/C29H31N5O/c1-6-19-13-23-24(14-22(19)20-16-31-34(17-20)11-7-10-33(4)5)29(2,3)28-26(27(23)35)21-9-8-18(15-30)12-25(21)32-28/h8-9,12-14,16-17,32H,6-7,10-11H2,1-5H3 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Dana-Farber Cancer Institute
Curated by ChEMBL
| Assay Description
Inhibition of IRAK1 (unknown origin) |
J Med Chem 58: 9296-9308 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
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TBA
| Assay Description
Inhibition of human IRAK1 using MBP as substrate by [gamma-33P]-ATP assay |
Citation and Details
Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621087
(2-(3-(3,5-difluoro-6- (((3S,4S)-4-fluoro- pyrrolid...)Show SMILES CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CNC[C@@H]4F)c(F)cc3F)n2c1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621151
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621103
(US20230303563, Compound 61)Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621138
(N-((3S,4S)-4- fluoropiperidin-3-yl)-4-(7- isopropo...)Show SMILES CC(C)Oc1ccn2c(cnc2c1)-c1ccnc(N[C@H]2CNCC[C@@H]2F)n1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM649896
(US20240043405, Compound 013)Show SMILES CN1C[C@H](CC(C1)C(=O)Nc1ccc(NC(=O)c2cccc(n2)-c2ccn[nH]2)nc1)NC(=O)C=C |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50536678
(CHEMBL4550702)Show SMILES Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F Show InChI InChI=1S/C17H13F3N6OS/c1-25-6-12(4-23-25)11-3-21-15-13(5-24-26(15)7-11)10-2-14(28-8-10)16(27)22-9-17(18,19)20/h2-8H,9H2,1H3,(H,22,27) | PDB
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Merck and Co.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human GST-tagged IRAK1 (194 to 712 residues) catalytic domain expressed in baculovirus expression system by Adapta assay |
Bioorg Med Chem Lett 26: 4362-6 (2016)
Article DOI: 10.1016/j.bmcl.2016.02.003
BindingDB Entry DOI: 10.7270/Q2NP27X5 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621098
(6-(6-(difluorometh- oxy)imidazo[1,2-a]- pyridin-3-...)Show SMILES FC(F)Oc1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(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
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal His6-tagged IRAK1 (194 to end residues) expressed in baculovirus infected Sf21 insect cells in presence of... |
Bioorg Med Chem 26: 913-924 (2018)
Article DOI: 10.1016/j.bmc.2018.01.008
BindingDB Entry DOI: 10.7270/Q2MW2KTQ |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621148
(US20230303563, Compound 226)Show SMILES FC(F)Oc1ccn2c(cnc2c1)-c1cccc(N[C@H]2CNC[C@@H]2F)n1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621117
(2-(3-(6-(((3S,4S)-4- fluoropiperidin-3- yl)amino)p...)Show SMILES CC(C)(O)c1cn2c(cnc2cc1CO)-c1cccc(N[C@H]2CNCC[C@@H]2F)n1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM538621
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1 | PDB
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TBA
| Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM139540
(US10189849, staurosporine | US10307427, Staurospor...)Show SMILES CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C27H24N4O3/c1-28-16-11-19-30-17-9-5-4-8-14(17)21-22-15(12-29-26(22)32)20-13-7-3-6-10-18(13)31(23(20)24(21)30)27(34-19)25(16)33-2/h3-10,16,19,25,27-28H,11-12H2,1-2H3,(H,29,32)/t16-,19?,25-,27?/m1/s1 | PDB
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TBA
| Assay Description
Table 8-10: Compounds were tested in 10-dose IC50 mode with 3-fold serial dilution starting at 10 uM, and are relative to DMSO, the negative control.... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM538621
(NCGC 00371481 | US11254667, Compound I-24 | US1154...)Show SMILES Cn1cc(cn1)-c1cn2c(cnc2cc1CO)-c1cccc(NC2CCNC2)n1 | PDB
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TBA
| Assay Description
Table 3 and 4: The HotSpot kinase profiling and screening assays were carried out using the method of Anastassiadis et al., Nat. Biotechnol. (2011) V... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2154MW8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621151
(Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6...)Show SMILES CC(O)(c1ccc2ncc(-c3cccc(N[C@H]4CNCC[C@@H]4F)n3)n2c1)C(F)(F)F |r| | PDB
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50601440
(CHEMBL5176837)Show SMILES COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01851
BindingDB Entry DOI: 10.7270/Q25Q515Z |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621086
((S)-2-(3-(6-((4,4- difluoropiperidin-3- yl)amino)p...)Show SMILES CC(C)(O)c1ccc2ncc(-c3cccc(N[C@H]4CNCCC4(F)F)n3)n2c1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50373415
(CHEMBL256713)Show SMILES COc1cc(ccc1NC(=O)c1cccc(n1)-c1cc[nH]n1)N1CCOCC1 Show InChI InChI=1S/C20H21N5O3/c1-27-19-13-14(25-9-11-28-12-10-25)5-6-17(19)23-20(26)18-4-2-3-15(22-18)16-7-8-21-24-16/h2-8,13H,9-12H2,1H3,(H,21,24)(H,23,26) | PDB
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TBA
| Assay Description
Inhibition of truncated human N-terminal GST-fusion tagged IRAK1 (194 to 712 residues) expressed in baculovirus expression system using FAM-labelled ... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00103
BindingDB Entry DOI: 10.7270/Q2MS3XMH |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(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
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant N-terminal His6-tagged human IRAK1 (194 end residues) expressed in baculovirus infected Sf21 cells |
J Med Chem 60: 10071-10091 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01290
BindingDB Entry DOI: 10.7270/Q2T72KWX |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM621123
(US20230303563, Compound 165)Show SMILES FC(F)c1ccc2ncc(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)n2c1 |r| | PDB
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TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
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