Found 65 hits with Last Name = 'dower' and Initial = 'k' 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)) | BDBM50239500
(CHEMBL4066705 | US10329302, Example 337 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239498
(CHEMBL4093120 | US10329302, Example 189 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1 | 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 | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239507
(CHEMBL4091434 | US10329302, Example 246 | US107935...)Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H21N3O4/c1-3-10-7-16(22)21-14(10)9-25-18-12-8-15(24-2)13(17(19)23)6-11(12)4-5-20-18/h4-6,8,10,14H,3,7,9H2,1-2H3,(H2,19,23)(H,21,22)/t10-,14-/m1/s1 | 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 | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239508
(CHEMBL4085199 | US10329302, Example 309 | US107935...)Show SMILES [H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-14-12(22-17(24)18(8,14)19)7-26-16-10-6-13(25-2)11(15(20)23)5-9(10)3-4-21-16/h3-6,8,12,14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,14+,18-/m0/s1 | 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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239491
(CHEMBL4083655 | US10329302, Example 173 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18N2O4/c1-22-15-8-12-10(7-13(15)17(18)21)3-2-4-14(12)23-9-11-5-6-16(20)19-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,18,21)(H,19,20)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239493
(CHEMBL4103497 | US10329302, Example 312 | US107935...)Show SMILES CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C19H23N3O4/c1-3-4-12-8-17(23)22-15(12)10-26-19-13-9-16(25-2)14(18(20)24)7-11(13)5-6-21-19/h5-7,9,12,15H,3-4,8,10H2,1-2H3,(H2,20,24)(H,22,23)/t12-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239506
(CHEMBL4071526 | US10329302, Example 188 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human whole blood assessed as reduction R848-induced IL-6 secretion by measuring plasma protein binding corrected IC50 preincu... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production by measuring plasma protein binding corrected IC50 af... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239497
(CHEMBL4084228 | US10329302, Example 271 | US107935...)Show SMILES [H][C@]12[C@H](C)[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H19N3O4/c1-8-14-12(21-17(23)15(8)14)7-25-18-10-6-13(24-2)11(16(19)22)5-9(10)3-4-20-18/h3-6,8,12,14-15H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239492
(CHEMBL4070515 | US10329302, Example 211 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H19N3O4/c1-9-5-15(21)20-13(9)8-24-17-11-7-14(23-2)12(16(18)22)6-10(11)3-4-19-17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H2,18,22)(H,20,21)/t9-,13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239505
(CHEMBL4061801 | US10329302, Example 248 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-9-10(2)17(23)21-14(9)8-25-18-12-7-15(24-3)13(16(19)22)6-11(12)4-5-20-18/h4-7,9-10,14H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,10-,14-/m1/s1 | 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 | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239488
(CHEMBL4092338 | US10329302, Example 26 | US1079357...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-10(2)25-15-8-13-11(7-14(15)17(19)23)5-6-20-18(13)24-9-12-3-4-16(22)21-12/h5-8,10,12H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239496
(CHEMBL4075552 | US10329302, Example 264 | US107935...)Show SMILES [H][C@]12C[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C17H17N3O4/c1-23-14-6-9-8(4-12(14)15(18)21)2-3-19-17(9)24-7-13-10-5-11(10)16(22)20-13/h2-4,6,10-11,13H,5,7H2,1H3,(H2,18,21)(H,20,22)/t10-,11+,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239504
(CHEMBL4061890 | US10329302, Example 262 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239500
(CHEMBL4066705 | US10329302, Example 337 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239489
(CHEMBL4100091 | US10329302, Example 121 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239507
(CHEMBL4091434 | US10329302, Example 246 | US107935...)Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H21N3O4/c1-3-10-7-16(22)21-14(10)9-25-18-12-8-15(24-2)13(17(19)23)6-11(12)4-5-20-18/h4-6,8,10,14H,3,7,9H2,1-2H3,(H2,19,23)(H,21,22)/t10-,14-/m1/s1 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239494
(CHEMBL4079243 | US10329302, Example 340 | US107935...)Show SMILES COC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H21N3O5/c1-24-8-11-6-16(22)21-14(11)9-26-18-12-7-15(25-2)13(17(19)23)5-10(12)3-4-20-18/h3-5,7,11,14H,6,8-9H2,1-2H3,(H2,19,23)(H,21,22)/t11-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239498
(CHEMBL4093120 | US10329302, Example 189 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1 | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239508
(CHEMBL4085199 | US10329302, Example 309 | US107935...)Show SMILES [H][C@]12[C@H](C)[C@@]1(F)C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-14-12(22-17(24)18(8,14)19)7-26-16-10-6-13(25-2)11(15(20)23)5-9(10)3-4-21-16/h3-6,8,12,14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,14+,18-/m0/s1 | 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239490
(CHEMBL4073250 | US10329302, Example 122 | US117024...)Show SMILES CCOc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239493
(CHEMBL4103497 | US10329302, Example 312 | US107935...)Show SMILES CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C19H23N3O4/c1-3-4-12-8-17(23)22-15(12)10-26-19-13-9-16(25-2)14(18(20)24)7-11(13)5-6-21-19/h5-7,9,12,15H,3-4,8,10H2,1-2H3,(H2,20,24)(H,22,23)/t12-,15-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239495
(CHEMBL4076912 | US10329302, Example 247 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](C)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-9-10(2)17(23)21-14(9)8-25-18-12-7-15(24-3)13(16(19)22)6-11(12)4-5-20-18/h4-7,9-10,14H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,10+,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239506
(CHEMBL4071526 | US10329302, Example 188 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239491
(CHEMBL4083655 | US10329302, Example 173 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H18N2O4/c1-22-15-8-12-10(7-13(15)17(18)21)3-2-4-14(12)23-9-11-5-6-16(20)19-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,18,21)(H,19,20)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239497
(CHEMBL4084228 | US10329302, Example 271 | US107935...)Show SMILES [H][C@]12[C@H](C)[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H19N3O4/c1-8-14-12(21-17(23)15(8)14)7-25-18-10-6-13(24-2)11(16(19)22)5-9(10)3-4-20-18/h3-6,8,12,14-15H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+,15+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239492
(CHEMBL4070515 | US10329302, Example 211 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H19N3O4/c1-9-5-15(21)20-13(9)8-24-17-11-7-14(23-2)12(16(18)22)6-10(11)3-4-19-17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H2,18,22)(H,20,21)/t9-,13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Cyclic GMP-AMP synthase
(Homo sapiens) | BDBM17051
(BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...)Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1 Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of cGAS in human THP1 cells assessed as reduction in salmon sperm dsDNA-induced IFN-beta expression preincubated for 1 hr followed by dsDN... |
PLoS ONE 12: (2017)
Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239509
(CHEMBL4086222)Show InChI InChI=1S/C21H18N2O2/c1-13(2)25-20-11-18-16(10-19(20)21(23)24)4-3-5-17(18)15-8-6-14(12-22)7-9-15/h3-11,13H,1-2H3,(H2,23,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239505
(CHEMBL4061801 | US10329302, Example 248 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-9-10(2)17(23)21-14(9)8-25-18-12-7-15(24-3)13(16(19)22)6-11(12)4-5-20-18/h4-7,9-10,14H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,10-,14-/m1/s1 | 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 | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239496
(CHEMBL4075552 | US10329302, Example 264 | US107935...)Show SMILES [H][C@]12C[C@@]1([H])C(=O)N[C@@H]2COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C17H17N3O4/c1-23-14-6-9-8(4-12(14)15(18)21)2-3-19-17(9)24-7-13-10-5-11(10)16(22)20-13/h2-4,6,10-11,13H,5,7H2,1H3,(H2,18,21)(H,20,22)/t10-,11+,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239487
(CHEMBL4089619)Show SMILES CC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H23N3O3/c1-11(2)23-16-9-14-12(8-15(16)17(19)22)5-7-21-18(14)24-13-4-3-6-20-10-13/h5,7-9,11,13,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239488
(CHEMBL4092338 | US10329302, Example 26 | US1079357...)Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-10(2)25-15-8-13-11(7-14(15)17(19)23)5-6-20-18(13)24-9-12-3-4-16(22)21-12/h5-8,10,12H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239503
(CHEMBL4061493)Show SMILES CC(C)Oc1cc2c(O[C@@H]3CCCNC3)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239489
(CHEMBL4100091 | US10329302, Example 121 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239494
(CHEMBL4079243 | US10329302, Example 340 | US107935...)Show SMILES COC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12 |r| Show InChI InChI=1S/C18H21N3O5/c1-24-8-11-6-16(22)21-14(11)9-26-18-12-7-15(25-2)13(17(19)23)5-10(12)3-4-20-18/h3-5,7,11,14H,6,8-9H2,1-2H3,(H2,19,23)(H,21,22)/t11-,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 373 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239490
(CHEMBL4073250 | US10329302, Example 122 | US117024...)Show SMILES CCOc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H19N3O4/c1-2-23-14-8-12-10(7-13(14)16(18)22)5-6-19-17(12)24-9-11-3-4-15(21)20-11/h5-8,11H,2-4,9H2,1H3,(H2,18,22)(H,20,21)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 672 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239510
(CHEMBL4064661 | US10329302, Example 32 | US1079357...)Show SMILES CC(C)Oc1cc2c(OC[C@H]3CCC(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-10(2)25-15-8-13-11(7-14(15)17(19)23)5-6-20-18(13)24-9-12-3-4-16(22)21-12/h5-8,10,12H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t12-/m1/s1 | 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 | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239487
(CHEMBL4089619)Show SMILES CC(C)Oc1cc2c(O[C@@H]3CCCNC3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H23N3O3/c1-11(2)23-16-9-14-12(8-15(16)17(19)22)5-7-21-18(14)24-13-4-3-6-20-10-13/h5,7-9,11,13,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t13-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Cyclic GMP-AMP synthase
(Homo sapiens) | BDBM50250108
(CHEMBL4096573)Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... |
PLoS ONE 12: (2017)
Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239502
(CHEMBL4104133)Show InChI InChI=1S/C14H15NO2/c1-9(2)17-13-8-11-6-4-3-5-10(11)7-12(13)14(15)16/h3-9H,1-2H3,(H2,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ... |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239504
(CHEMBL4061890 | US10329302, Example 262 | US107935...)Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50239495
(CHEMBL4076912 | US10329302, Example 247 | US107935...)Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](C)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H21N3O4/c1-9-10(2)17(23)21-14(9)8-25-18-12-7-15(24-3)13(16(19)22)6-11(12)4-5-20-18/h4-7,9-10,14H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,10+,14-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrs |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Cyclic GMP-AMP synthase
(Homo sapiens) | BDBM50250108
(CHEMBL4096573)Show SMILES OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H20N4O4/c25-17-10-16(12-6-2-1-3-7-12)22-18-14(11-21-24(17)18)19(26)23-15-9-5-4-8-13(15)20(27)28/h1-3,6-7,10-11,13,15,25H,4-5,8-9H2,(H,23,26)(H,27,28)/t13-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... |
PLoS ONE 12: (2017)
Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50239499
(CHEMBL4081711 | US10329302, Example 344 | US107935...)Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant VEGFR2 using CAGAGAIETDKEYYTVKD as substrate after 60 mins by Lance method |
J Med Chem 60: 5521-5542 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42 |
More data for this Ligand-Target Pair | |
Cyclic GMP-AMP synthase
(Homo sapiens) | BDBM50250111
(CHEMBL4084664)Show SMILES C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1 |r| Show InChI InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... |
PLoS ONE 12: (2017)
Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclic GMP-AMP synthase
(Homo sapiens) | BDBM50250109
(CHEMBL4062994)Show InChI InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cGAS (2 to 522 residues) expressed in Sf9 insect cells assessed as reduction in cGAMP level using ISD DNA as substrate in presenc... |
PLoS ONE 12: (2017)
Article DOI: 10.1371/journal.pone.0184843 BindingDB Entry DOI: 10.7270/Q2WQ067J |
More data for this Ligand-Target Pair | |