Found 17 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM103727' 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)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description Inhibition of human recombinant JAK1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Konkuk University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) |
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 | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01467 BindingDB Entry DOI: 10.7270/Q24Q801K |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate incubated for 1 hr followed by anti-pSTAT1 antibody addition and measure... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01026 BindingDB Entry DOI: 10.7270/Q2W95DTD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01550 BindingDB Entry DOI: 10.7270/Q2BZ6B4K |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description The study of the effect of compounds on the activity of purified recombinant JAK was performed by studying the inhibitory activity of the compounds o... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q22N55G1 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 47.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
US Patent
| Assay Description In vitro inhibition assay using various enzyme. |
US Patent US8563545 (2013)
BindingDB Entry DOI: 10.7270/Q2TX3D1X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 48.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
US Patent
| Assay Description In vitro inhibition assay using various enzyme. |
US Patent US8563545 (2013)
BindingDB Entry DOI: 10.7270/Q2TX3D1X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
NOVARTIS AG
US Patent
| Assay Description The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ... |
US Patent US10766894 (2020)
BindingDB Entry DOI: 10.7270/Q2TX3JDH |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 50.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
US Patent
| Assay Description In vitro inhibition assay using various enzyme. |
US Patent US8563545 (2013)
BindingDB Entry DOI: 10.7270/Q2TX3D1X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 50.3 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) is purchased from Carna Biosciences. 10 ng of JAK1 is incubated... |
US Patent US10919890 (2021)
BindingDB Entry DOI: 10.7270/Q2QF8WZZ |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| US Patent
| n/a | n/a | 55.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
US Patent
| Assay Description In vitro inhibition assay using various enzyme. |
US Patent US8563545 (2013)
BindingDB Entry DOI: 10.7270/Q2TX3D1X |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) in presence of ATP at Km concentration by caliper assay |
Bioorg Med Chem Lett 11: 1599-603 (2001)
Article DOI: 10.1016/j.bmcl.2020.127225 BindingDB Entry DOI: 10.7270/Q2571GKC |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 629 | n/a | n/a | n/a | n/a | n/a | n/a |
Galapagos NV
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced pSTAT1 |
J Med Chem 57: 9323-42 (2014)
Article DOI: 10.1021/jm501262q BindingDB Entry DOI: 10.7270/Q2GH9KK6 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 636 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human JAK1 assessed as phosphorylation level in presence of 1 mM ATP |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.127862 BindingDB Entry DOI: 10.7270/Q21V5JNK |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM103727
(US10112907, Example 00033 | US10206907, Compound 2...)Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1 Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27) | PDB
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| Article PubMed
| n/a | n/a | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK1 (unknown origin) expressed in mouse BAF3 cells assessed as antiproliferative activity by cell-based assay |
Bioorg Med Chem Lett 11: 1599-603 (2001)
Article DOI: 10.1016/j.bmcl.2020.127225 BindingDB Entry DOI: 10.7270/Q2571GKC |
More data for this Ligand-Target Pair | |