Found 103 hits for monomerid = 103727 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| 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 JAK2
(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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| PDB US Patent
| n/a | n/a | 460 | 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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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 | 9.40E+3 | 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 | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
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| US Patent
| n/a | n/a | 780 | 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 [866-1154]
(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
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 814 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB
US Patent
| Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... |
US Patent US10961228 (2021)
BindingDB Entry DOI: 10.7270/Q20G3P8F |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2 [831-1132]
(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
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 6.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB
US Patent
| Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... |
US Patent US10961228 (2021)
BindingDB Entry DOI: 10.7270/Q20G3P8F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3 [781-1124]
(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
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
ASTRAZENECA AB
US Patent
| Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci... |
US Patent US10961228 (2021)
BindingDB Entry DOI: 10.7270/Q20G3P8F |
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 JAK2
(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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| PDB US Patent
| n/a | n/a | 73.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) is purchased from Invitrogen. 0.025 mU of JAK2 is incubated wit... |
US Patent US10919890 (2021)
BindingDB Entry DOI: 10.7270/Q2QF8WZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) is purchased from Invitrogen. 0.025 mU of JAK3 is incubated wit... |
US Patent US10919890 (2021)
BindingDB Entry DOI: 10.7270/Q2QF8WZZ |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
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| US Patent
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) is purchased from Carna biosciences. 5 ng of TYK2 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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| 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 JAK2
(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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| PDB Article PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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 | 623 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (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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Similars
| 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 | |
Tyrosine-protein kinase JAK2
(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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| PDB Article PubMed
| n/a | n/a | 4.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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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Similars
| Article PubMed
| n/a | n/a | 1.33E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University
Curated by ChEMBL
| Assay Description Inhibition of JAK3 (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 | |
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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Similars
| 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 JAK2
(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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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant JAK2 (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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 932 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant JAK3 (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 | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant TYK2 (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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UniProtKB/SwissProt
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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 JAK2
(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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| PDB Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human JAK2 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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human JAK3 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 | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of recombinant human Tyk2 expressed in sf21 baculovirus expression system 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 [850-1154]
() | 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 MMDB
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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 Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) was purchased from Carna Biosciences. 10 ng of JAK1 was incubat... |
US Patent US11000528 (2021)
BindingDB Entry DOI: 10.7270/Q2KS6VPD |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2 [808-1132]
(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 MMDB
UniProtKB/SwissProt
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| n/a | n/a | 31.4 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) was purchased from Invitrogen. 0.025 mU of JAK2 was incubated w... |
US Patent US11000528 (2021)
BindingDB Entry DOI: 10.7270/Q2KS6VPD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3 [781-1124]
(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
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 149 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated w... |
US Patent US11000528 (2021)
BindingDB Entry DOI: 10.7270/Q2KS6VPD |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [871-1187]
(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
UniProtKB/SwissProt
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| US Patent
| n/a | n/a | 72.7 | n/a | n/a | n/a | n/a | n/a | n/a |
GALAPAGOS NV
US Patent
| Assay Description Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubate... |
US Patent US11000528 (2021)
BindingDB Entry DOI: 10.7270/Q2KS6VPD |
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 | 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 JAK2
(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 | 55 | 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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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 | 644 | 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 [866-1154]
(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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| 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 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2 [808-1132]
(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 | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| 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 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3 [811-1124]
(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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| 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 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [888-1187]
(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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| 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 ... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q20K2CRN |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(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 | 28 | 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 | 3D Structure (crystal) |
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
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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| 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 JAK2
(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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| PDB Article PubMed
| n/a | n/a | 122 | 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 | 3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3.08E+3 | 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 | |
Non-receptor tyrosine-protein kinase TYK2
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 113 | 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 | |
Cytochrome P450 1A2
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 6.56E+4 | 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 | |
Cytochrome P450 2B6
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | 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 | |
Cytochrome P450 2C8
(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
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | 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 | |
Cytochrome P450 2C9
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | 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 | |
Cytochrome P450 2C19
(Homo sapiens) | 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 MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 8.82E+4 | 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 | |
Cytochrome P450 2D6
(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
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | 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 | |
Cytochrome P450 3A4
(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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | 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 | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2
(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
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 407 | 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 | 3D Structure (crystal) |