Found 5 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 |
Non-receptor tyrosine-protein kinase TYK2
(294/311 = 95%)† (Homo sapiens (Human)) | BDBM26198
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
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Similars
| PDB 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 Tyrosine kinase 2 kinase |
Bioorg Med Chem Lett 12: 1219-23 (2002)
BindingDB Entry DOI: 10.7270/Q2JW8D67 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(294/311 = 95%)† (Homo sapiens (Human)) | BDBM26198
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 |
Proc Natl Acad Sci USA 104: 20523-8 (2007)
Checked by Author Article DOI: 10.1073/pnas.0708800104 BindingDB Entry DOI: 10.7270/Q2DB82RH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(294/311 = 95%)† (Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(294/311 = 95%)† (Homo sapiens (Human)) | BDBM26198
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | 7.5 | 30 |
University of Luxembourg
| Assay Description Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-... |
Chem Biol 18: 314-23 (2011)
Article DOI: 10.1016/j.chembiol.2011.01.012 BindingDB Entry DOI: 10.7270/Q2736PDR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(294/311 = 95%)† (Homo sapiens (Human)) | BDBM50109821
(CHEBI:87103 | CHEMBL21156 | US10981896, Compound 4...)Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21 Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | PDB
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of Tyk2 (unknown origin) using 1 mM of ATP and Tyr3 peptide by Z'-LYTE kinase assay |
J Med Chem 58: 7596-602 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01263 BindingDB Entry DOI: 10.7270/Q2H70HND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |