Found 6 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM292111' 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 |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ... |
US Patent US10100049 (2018)
BindingDB Entry DOI: 10.7270/Q27M09Z8 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
THERAVANCE BIOPHARMA R&D IP, LLC
US Patent
| Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... |
US Patent US10183942 (2019)
BindingDB Entry DOI: 10.7270/Q2G44SC9 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q29027WQ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... |
US Patent US10913740 (2021)
BindingDB Entry DOI: 10.7270/Q21Z47J5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description All of the compounds of Examples 1 to 16 and Tables 1 to 19 were tested in one or more of the assays described above. In the following tables, for th... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2T156V0 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM292111
(US10100049, Example 8 | US10183942, Example 8 | US...)Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-11.45,-2.63,;-10.11,-1.86,;-10.11,-.32,;-11.45,.45,;-11.45,1.99,;-12.78,2.76,;-10.11,2.76,;-10.11,4.3,;-8.78,1.99,;-8.78,.45,;-7.44,-.32,;-6.11,.45,;-4.78,-.32,;-4.78,-1.86,;-3.63,-2.89,;-4.26,-4.3,;-5.79,-4.14,;-6.11,-2.63,;-7.44,-1.86,;-2.15,-2.49,;-1.24,-1.25,;.22,-1.72,;1.56,-.95,;2.89,-1.72,;4.23,-.95,;5.56,-1.72,;6.89,-.95,;8.23,-1.72,;8.62,-3.21,;10.11,-2.81,;9.71,-1.32,;11.45,-3.58,;12.78,-2.81,;2.89,-3.26,;1.56,-4.03,;.22,-3.26,;-1.24,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance Biopharma R&D IP, LLC
US Patent
| Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%... |
US Patent US10526330 (2020)
BindingDB Entry DOI: 10.7270/Q2TF00RD |
More data for this Ligand-Target Pair | |