Found 109 hits with Last Name = 'mulrooney' and Initial = 'ef' 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)) | BDBM50130661
(CHEMBL3634510 | US10329294, Example 162)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/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 | 0.200 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095475
(CHEMBL3590479)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C23H28N4O3/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28) | 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 | 0.200 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130681
(CHEMBL3634383)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7OS/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28)/t10-,11+/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 | 0.200 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095475
(CHEMBL3590479)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C23H28N4O3/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28) | 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 | 0.200 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095470
(CHEMBL3590474 | US10155765, Example 9)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r| Show InChI InChI=1S/C21H25N3O/c1-23(2)14-9-15-25-21-16-20(19-12-7-4-8-13-19)24(22-21)17-18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15,17H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| 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 | |
Interleukin-1 receptor-associated kinase 4
(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
(Homo sapiens (Human)) | BDBM50130668
(CHEMBL3634613)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r| Show InChI InChI=1S/C17H20ClN7OS/c1-25-7-12(15(18)24-25)22-16(26)9-8-27-17-14(9)23-13(6-20-17)21-11-5-3-2-4-10(11)19/h6-8,10-11H,2-5,19H2,1H3,(H,21,23)(H,22,26)/t10-,11+/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 | 0.300 | 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 | |
Interleukin-1 receptor-associated kinase 4
(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
(Homo sapiens (Human)) | BDBM50130674
(CHEMBL3634616)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H20N8OS/c1-26-8-14(13(6-19)25-26)23-17(27)10-9-28-18-16(10)24-15(7-21-18)22-12-5-3-2-4-11(12)20/h7-9,11-12H,2-5,20H2,1H3,(H,22,24)(H,23,27)/t11-,12+/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 | 0.400 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130660
(CHEMBL3634509 | US10040802, Example 32)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7OS/c1-26-7-11(14(25-26)15(18)19)23-16(27)10-8-28-17-13(10)24-12(6-21-17)22-9-3-2-4-20-5-9/h6-9,15,20H,2-5H2,1H3,(H,22,24)(H,23,27)/t9-/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 | 0.400 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130684
(CHEMBL3634502 | US10329294, Example 9)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-9-12(14(26-27)17(18,19)20)24-16(29)11-8-22-28-6-4-13(25-15(11)28)23-10-3-2-5-21-7-10/h4,6,8-10,21H,2-3,5,7H2,1H3,(H,23,25)(H,24,29)/t10-/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 |
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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095532
(CHEMBL3590515 | US10329294, Example 173)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C15H18N2O2/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18) | 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 | 0.5 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130689
(CHEMBL3634506 | US10329294, Example 91)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H20F2N8O/c1-26-9-12(14(25-26)15(18)19)23-17(28)11-8-21-27-6-4-13(24-16(11)27)22-10-3-2-5-20-7-10/h4,6,8-10,15,20H,2-3,5,7H2,1H3,(H,22,24)(H,23,28)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130664
(CHEMBL3634512 | US10329294, Example 149)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r| Show InChI InChI=1S/C17H21ClN8O/c1-25-9-13(15(18)24-25)22-17(27)10-8-20-26-7-6-14(23-16(10)26)21-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,23)(H,22,27)/t11-,12+/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 | <0.5 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095534
(CHEMBL3590516 | US10329294, Example 252)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C9H14N2O2/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12) | 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 |
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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130679
(CHEMBL3634381)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H22F2N8O/c1-27-9-13(15(25-27)16(19)20)23-17(29)14-7-6-10-8-22-18(26-28(10)14)24-12-5-3-2-4-11(12)21/h6-9,11-12,16H,2-5,21H2,1H3,(H,23,29)(H,24,26)/t11-,12+/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 | 0.5 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130662
(CHEMBL3634511 | US10329295, Example 90)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H22F2N8O/c1-27-10-13(15(25-27)16(19)20)24-17(29)14-6-5-12-9-22-18(26-28(12)14)23-11-4-2-3-7-21-8-11/h5-6,9-11,16,21H,2-4,7-8H2,1H3,(H,23,26)(H,24,29)/t11-/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 | 0.700 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130670
(CHEMBL3634615)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C19H22N8O/c1-26-11-16(15(10-20)24-26)23-19(28)17-8-6-12-7-9-18(25-27(12)17)22-14-5-3-2-4-13(14)21/h6-9,11,13-14H,2-5,21H2,1H3,(H,22,25)(H,23,28)/t13-,14+/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 | 0.700 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130688
(CHEMBL3634505)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7OS/c1-27-7-11(14(26-27)17(18,19)20)24-15(28)10-8-29-16-13(10)25-12(6-22-16)23-9-3-2-4-21-5-9/h6-9,21H,2-5H2,1H3,(H,23,25)(H,24,28)/t9-/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 | 0.800 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095473
(CHEMBL3590477 | US10329294, Example 282)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.800 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095473
(CHEMBL3590477 | US10329294, Example 282)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)25-26)23-18(28)11-9-21-27-7-6-16(24-17(11)27)22-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,24)(H,23,28)/t12-,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 0.800 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130691
(CHEMBL3634508)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7O/c1-26-10-13(16(25-26)17(19)20)23-18(28)14-6-4-12-5-7-15(24-27(12)14)22-11-3-2-8-21-9-11/h4-7,10-11,17,21H,2-3,8-9H2,1H3,(H,22,24)(H,23,28)/t11-/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 | 0.900 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130669
(CHEMBL3634614 | US10329295, Example 35)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r| Show InChI InChI=1S/C18H21N9O/c1-26-10-15(14(8-19)24-26)22-17(28)16-7-6-11-9-21-18(25-27(11)16)23-13-5-3-2-4-12(13)20/h6-7,9-10,12-13H,2-5,20H2,1H3,(H,22,28)(H,23,25)/t12-,13+/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130666
(CHEMBL3634513 | US10329295, Example 25)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r| Show InChI InChI=1S/C17H21ClN8O/c1-25-9-13(15(18)23-25)21-16(27)14-7-6-10-8-20-17(24-26(10)14)22-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,27)(H,22,24)/t11-,12+/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130690
(CHEMBL3634507 | US10329295, Example 16)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H20F2N8O/c1-26-9-12(14(24-26)15(18)19)23-16(28)13-5-4-11-8-21-17(25-27(11)13)22-10-3-2-6-20-7-10/h4-5,8-10,15,20H,2-3,6-7H2,1H3,(H,22,25)(H,23,28)/t10-/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095505
(CHEMBL3590488 | US10329294, Example 88)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCNCC2)c(n1)C(F)F Show InChI InChI=1S/C17H13ClO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22) | 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 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130687
(CHEMBL3634504)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7O/c1-27-10-13(16(26-27)18(19,20)21)24-17(29)14-6-4-12-5-7-15(25-28(12)14)23-11-3-2-8-22-9-11/h4-7,10-11,22H,2-3,8-9H2,1H3,(H,23,25)(H,24,29)/t11-/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130667
(CHEMBL3634514)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(Cl)n1 |r| Show InChI InChI=1S/C18H22ClN7O/c1-25-10-14(17(19)24-25)22-18(27)15-8-6-11-7-9-16(23-26(11)15)21-13-5-3-2-4-12(13)20/h6-10,12-13H,2-5,20H2,1H3,(H,21,23)(H,22,27)/t12-,13+/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130678
(CHEMBL3634380)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7OS/c1-28-7-12(15(27-28)18(19,20)21)25-16(29)9-8-30-17-14(9)26-13(6-23-17)24-11-5-3-2-4-10(11)22/h6-8,10-11H,2-5,22H2,1H3,(H,24,26)(H,25,29)/t10-,11+/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130680
(CHEMBL3634382)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C19H23F2N7O/c1-27-10-14(17(26-27)18(20)21)24-19(29)15-8-6-11-7-9-16(25-28(11)15)23-13-5-3-2-4-12(13)22/h6-10,12-13,18H,2-5,22H2,1H3,(H,23,25)(H,24,29)/t12-,13+/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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095531
(CHEMBL3590493 | US10329294, Example 60)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)CC(F)(F)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C5H8N2O2/c1-3-4(2-6)9-7-5(3)8/h2,6H2,1H3,(H,7,8) | 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 | 1 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130676
(CHEMBL3634378 | US10329295, Example 2)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N8O/c1-28-9-13(15(26-28)18(19,20)21)24-16(30)14-7-6-10-8-23-17(27-29(10)14)25-12-5-3-2-4-11(12)22/h6-9,11-12H,2-5,22H2,1H3,(H,24,30)(H,25,27)/t11-,12+/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 | 2 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130686
(CHEMBL3634503 | US10329295, Example 5)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-9-12(14(25-27)17(18,19)20)24-15(29)13-5-4-11-8-22-16(26-28(11)13)23-10-3-2-6-21-7-10/h4-5,8-10,21H,2-3,6-7H2,1H3,(H,23,26)(H,24,29)/t10-/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 | 2 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095476
(CHEMBL3590480 | US10329294, Example 297)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)C(F)(F)F |r| Show InChI InChI=1S/C19H21F5N8O/c1-31-9-13(15(30-31)18(20,21)19(22,23)24)28-17(33)10-8-26-32-7-6-14(29-16(10)32)27-12-5-3-2-4-11(12)25/h6-9,11-12H,2-5,25H2,1H3,(H,27,29)(H,28,33)/t11-,12+/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 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095465
(CHEMBL3590438 | US10155765, Example 28)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(NCCN)nc23)c(n1)C(N)=O Show InChI InChI=1S/C14H17N9O2/c1-22-7-9(11(21-22)12(16)24)19-14(25)8-6-18-23-5-2-10(17-4-3-15)20-13(8)23/h2,5-7H,3-4,15H2,1H3,(H2,16,24)(H,17,20)(H,19,25) | 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 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130681
(CHEMBL3634383)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7OS/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28)/t10-,11+/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 | 3 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130689
(CHEMBL3634506 | US10329294, Example 91)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H20F2N8O/c1-26-9-12(14(25-26)15(18)19)23-17(28)11-8-21-27-6-4-13(24-16(11)27)22-10-3-2-5-20-7-10/h4,6,8-10,15,20H,2-3,5,7H2,1H3,(H,22,24)(H,23,28)/t10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130660
(CHEMBL3634509 | US10040802, Example 32)Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7OS/c1-26-7-11(14(25-26)15(18)19)23-16(27)10-8-28-17-13(10)24-12(6-21-17)22-9-3-2-4-20-5-9/h6-9,15,20H,2-5H2,1H3,(H,22,24)(H,23,27)/t9-/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 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095517
(CHEMBL3590492)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H13FO4/c18-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)15(19)10-16(20)17(21)22/h1-7,9H,8,10H2,(H,21,22) | 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 | 3 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095514
(CHEMBL3590491 | US10329294, Example 205)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCC(F)(F)C[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H20O5/c1-13(2)25-19-9-8-15(10-14-6-4-3-5-7-14)11-16(19)17(21)12-18(22)20(23)24/h3-9,11,13H,10,12H2,1-2H3,(H,23,24) | 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 | 3 | 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 | |
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)) | 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)) | 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)) | BDBM50130683
(CHEMBL3634501 | US10329295, Example 140)Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CC(F)(F)CC[C@@H]4N)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H20F4N8O/c1-29-8-12(14(27-29)15(19)20)25-16(31)13-3-2-9-7-24-17(28-30(9)13)26-11-6-18(21,22)5-4-10(11)23/h2-3,7-8,10-11,15H,4-6,23H2,1H3,(H,25,31)(H,26,28)/t10-,11+/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 | 3 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095482
(CHEMBL3590486 | US10329294, Example 85)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7O2/c1-26-9-12(15(25-26)16(19)20)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-11-4-2-3-5-13(11)28/h6-9,11,13,16,28H,2-5H2,1H3,(H,22,24)(H,23,29)/t11-,13+/m1/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 | 4 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095475
(CHEMBL3590479)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C23H28N4O3/c1-26(2)14-7-15-30-22-16-21(27(25-22)17-18-8-5-4-6-9-18)23(28)24-19-10-12-20(29-3)13-11-19/h4-6,8-13,16H,7,14-15,17H2,1-3H3,(H,24,28) | 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 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130691
(CHEMBL3634508)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7O/c1-26-10-13(16(25-26)17(19)20)23-18(28)14-6-4-12-5-7-15(24-27(12)14)22-11-3-2-8-21-9-11/h4-7,10-11,17,21H,2-3,8-9H2,1H3,(H,22,24)(H,23,28)/t11-/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 | 5 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50130677
(CHEMBL3634379)Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C19H22F3N7O/c1-28-10-14(17(27-28)19(20,21)22)25-18(30)15-8-6-11-7-9-16(26-29(11)15)24-13-5-3-2-4-12(13)23/h6-10,12-13H,2-5,23H2,1H3,(H,24,26)(H,25,30)/t12-,13+/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 | 5 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095477
(CHEMBL3590481 | US10329294, Example 281)Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)-c1nnco1 |r| Show InChI InChI=1S/C19H22N10O2/c1-28-9-14(16(27-28)19-26-21-10-31-19)24-18(30)11-8-22-29-7-6-15(25-17(11)29)23-13-5-3-2-4-12(13)20/h6-10,12-13H,2-5,20H2,1H3,(H,23,25)(H,24,30)/t12-,13+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 6 | 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 | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50095472
(CHEMBL3590476 | US10329294, Example 280)Show SMILES COCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C19H26N8O2/c1-26-10-15(16(25-26)11-29-2)23-19(28)12-9-21-27-8-7-17(24-18(12)27)22-14-6-4-3-5-13(14)20/h7-10,13-14H,3-6,11,20H2,1-2H3,(H,22,24)(H,23,28)/t13-,14+/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 | 6 | 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 | |