Found 4 hits 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
(301/301 = 100%)† (Homo sapiens (Human)) | BDBM50095474
(CHEMBL3590478 | US10329294, Example 2)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co.
Curated by ChEMBL
| Assay Description Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader |
ACS Med Chem Lett 6: 683-8 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00107 BindingDB Entry DOI: 10.7270/Q2QF8VNH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(301/301 = 100%)† (Homo sapiens (Human)) | BDBM50095474
(CHEMBL3590478 | US10329294, Example 2)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 (unknown origin) |
Bioorg Med Chem Lett 25: 5384-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.028 BindingDB Entry DOI: 10.7270/Q2WS8W3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(301/301 = 100%)† (Homo sapiens (Human)) | BDBM50095474
(CHEMBL3590478 | US10329294, Example 2)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Vernalis (R&D) Ltd
| Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp... |
Bioorg Med Chem 17: 6590-605 (2009)
BindingDB Entry DOI: 10.7270/Q2V40XJ3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(301/301 = 100%)† (Homo sapiens (Human)) | BDBM50095474
(CHEMBL3590478 | US10329294, Example 2)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of IRAK4 in human PBMC |
Bioorg Med Chem Lett 25: 5384-8 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.028 BindingDB Entry DOI: 10.7270/Q2WS8W3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |