Found 82 hits Enz. Inhib. hit(s) with all data for entry = 50040914 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)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402094
(CHEMBL2206639)Show SMILES CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2 Show InChI InChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50392011
(CHEMBL2152401)Show InChI InChI=1S/C16H18N6/c17-5-1-7-21-8-3-12(4-9-21)22-11-20-14-10-19-16-13(15(14)22)2-6-18-16/h2,6,10-12H,1,3-4,7-9H2,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402076
(CHEMBL2206624)Show SMILES CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C19H25N7O2S/c1-29(27,28)23-9-4-17-24-16-13-22-19-15(3-8-21-19)18(16)26(17)14-5-11-25(12-6-14)10-2-7-20/h3,8,13-14,23H,2,4-6,9-12H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402098
(CHEMBL2206634)Show InChI InChI=1S/C17H23N5O2S/c1-25(23,24)20-10-8-15-21-14-11-19-17-13(7-9-18-17)16(14)22(15)12-5-3-2-4-6-12/h7,9,11-12,20H,2-6,8,10H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402100
(CHEMBL2206632)Show InChI InChI=1S/C18H23N5O/c1-12(24)19-10-8-16-22-15-11-21-18-14(7-9-20-18)17(15)23(16)13-5-3-2-4-6-13/h7,9,11,13H,2-6,8,10H2,1H3,(H,19,24)(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402099
(CHEMBL2206633)Show InChI InChI=1S/C16H21N5O2S/c1-24(22,23)19-10-14-20-13-9-18-16-12(7-8-17-16)15(13)21(14)11-5-3-2-4-6-11/h7-9,11,19H,2-6,10H2,1H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402091
(CHEMBL2206061)Show SMILES N#CCCN1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)C1CC1 Show InChI InChI=1S/C19H22N6/c20-7-1-9-24-10-5-14(6-11-24)25-17-15-4-8-21-18(15)22-12-16(17)23-19(25)13-2-3-13/h4,8,12-14H,1-3,5-6,9-11H2,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402095
(CHEMBL2206637)Show InChI InChI=1S/C18H21N5O/c1-10(24)20-9-16-22-14-8-21-18-13(4-5-19-18)17(14)23(16)15-7-11-2-3-12(15)6-11/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3,(H,19,21)(H,20,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402096
(CHEMBL2206636)Show InChI InChI=1S/C17H23N5O2S/c1-25(23,24)20-11-15-21-14-10-19-17-13(8-9-18-17)16(14)22(15)12-6-4-2-3-5-7-12/h8-10,12,20H,2-7,11H2,1H3,(H,18,19) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402077
(CHEMBL2206623)Show SMILES CC(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C20H25N7O/c1-14(28)22-9-4-18-25-17-13-24-20-16(3-8-23-20)19(17)27(18)15-5-11-26(12-6-15)10-2-7-21/h3,8,13,15H,2,4-6,9-12H2,1H3,(H,22,28)(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402093
(CHEMBL2206058)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402104
(CHEMBL2206628)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1 |r| Show InChI InChI=1S/C16H21N5O3S/c1-25(23,24)19-9-14-20-13-8-18-16-12(5-6-17-16)15(13)21(14)10-3-2-4-11(22)7-10/h5-6,8,10-11,19,22H,2-4,7,9H2,1H3,(H,17,18)/t10-,11-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402089
(CHEMBL2206611)Show SMILES N#CCCN1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)C1CCC1 Show InChI InChI=1S/C20H24N6/c21-8-2-10-25-11-6-15(7-12-25)26-18-16-5-9-22-19(16)23-13-17(18)24-20(26)14-3-1-4-14/h5,9,13-15H,1-4,6-7,10-12H2,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402092
(CHEMBL2206060)Show InChI InChI=1S/C19H24N6/c1-2-4-17-23-16-13-22-19-15(5-9-21-19)18(16)25(17)14-6-11-24(12-7-14)10-3-8-20/h5,9,13-14H,2-4,6-7,10-12H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402106
(CHEMBL2206626)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C17H21F3N6O2S/c1-29(27,28)23-9-14-24-13-8-22-16-12(2-5-21-16)15(13)26(14)11-3-6-25(7-4-11)10-17(18,19)20/h2,5,8,11,23H,3-4,6-7,9-10H2,1H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402097
(CHEMBL2206635)Show InChI InChI=1S/C15H19N5O2S/c1-23(21,22)18-9-13-19-12-8-17-15-11(6-7-16-15)14(12)20(13)10-4-2-3-5-10/h6-8,10,18H,2-5,9H2,1H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402078
(CHEMBL2206622)Show SMILES CC(C)CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C21H29N7O2S/c1-15(2)14-31(29,30)25-13-19-26-18-12-24-21-17(4-8-23-21)20(18)28(19)16-5-10-27(11-6-16)9-3-7-22/h4,8,12,15-16,25H,3,5-6,9-11,13-14H2,1-2H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402079
(CHEMBL2206621)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C18H23N7O2S/c1-28(26,27)22-12-16-23-15-11-21-18-14(3-7-20-18)17(15)25(16)13-4-9-24(10-5-13)8-2-6-19/h3,7,11,13,22H,2,4-5,8-10,12H2,1H3,(H,20,21) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402080
(CHEMBL2206620)Show SMILES CCOC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C20H25N7O2/c1-2-29-20(28)24-13-17-25-16-12-23-19-15(4-8-22-19)18(16)27(17)14-5-10-26(11-6-14)9-3-7-21/h4,8,12,14H,2-3,5-6,9-11,13H2,1H3,(H,22,23)(H,24,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402086
(CHEMBL2206614)Show SMILES N#CCCN1CCC(CC1)n1c(CCC2CCCO2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C22H28N6O/c23-9-2-11-27-12-7-16(8-13-27)28-20(5-4-17-3-1-14-29-17)26-19-15-25-22-18(21(19)28)6-10-24-22/h6,10,15-17H,1-5,7-8,11-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402090
(CHEMBL2206062)Show InChI InChI=1S/C19H24N6/c1-13(2)19-23-16-12-22-18-15(4-8-21-18)17(16)25(19)14-5-10-24(11-6-14)9-3-7-20/h4,8,12-14H,3,5-6,9-11H2,1-2H3,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402084
(CHEMBL2206616)Show SMILES Cn1ccnc1CCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C22H26N8/c1-28-14-10-24-19(28)3-4-20-27-18-15-26-22-17(5-9-25-22)21(18)30(20)16-6-12-29(13-7-16)11-2-8-23/h5,9-10,14-16H,2-4,6-7,11-13H2,1H3,(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402101
(CHEMBL2206631)Show InChI InChI=1S/C17H21N5O/c1-11(23)19-10-15-21-14-9-20-17-13(7-8-18-17)16(14)22(15)12-5-3-2-4-6-12/h7-9,12H,2-6,10H2,1H3,(H,18,20)(H,19,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402075
(CHEMBL2206625)Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CC(F)(F)F)CC1 Show InChI InChI=1S/C18H21F3N6O/c1-11(28)23-9-15-25-14-8-24-17-13(2-5-22-17)16(14)27(15)12-3-6-26(7-4-12)10-18(19,20)21/h2,5,8,12H,3-4,6-7,9-10H2,1H3,(H,22,24)(H,23,28) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402082
(CHEMBL2206618)Show SMILES Cn1ccc(CCc2nc3cnc4[nH]ccc4c3n2C2CCN(CCC#N)CC2)n1 Show InChI InChI=1S/C22H26N8/c1-28-12-6-16(27-28)3-4-20-26-19-15-25-22-18(5-10-24-22)21(19)30(20)17-7-13-29(14-8-17)11-2-9-23/h5-6,10,12,15,17H,2-4,7-8,11,13-14H2,1H3,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402083
(CHEMBL2206617)Show SMILES N#CCCN1CCC(CC1)n1c(CCn2cccn2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C21H24N8/c22-7-1-10-27-12-4-16(5-13-27)29-19(6-14-28-11-2-8-25-28)26-18-15-24-21-17(20(18)29)3-9-23-21/h2-3,8-9,11,15-16H,1,4-6,10,12-14H2,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402088
(CHEMBL2206612)Show SMILES N#CCCN1CCC(CC1)n1c(CC2CCCC2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C22H28N6/c23-9-3-11-27-12-7-17(8-13-27)28-20(14-16-4-1-2-5-16)26-19-15-25-22-18(21(19)28)6-10-24-22/h6,10,15-17H,1-5,7-8,11-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402081
(CHEMBL2206619)Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCN(CCC#N)CC1 Show InChI InChI=1S/C19H23N7O/c1-13(27)22-12-17-24-16-11-23-19-15(3-7-21-19)18(16)26(17)14-4-9-25(10-5-14)8-2-6-20/h3,7,11,14H,2,4-5,8-10,12H2,1H3,(H,21,23)(H,22,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402103
(CHEMBL2206629)Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402103
(CHEMBL2206629)Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402087
(CHEMBL2206613)Show SMILES N#CCCN1CCC(CC1)n1c(CC2CCCO2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C21H26N6O/c22-7-2-9-26-10-5-15(6-11-26)27-19(13-16-3-1-12-28-16)25-18-14-24-21-17(20(18)27)4-8-23-21/h4,8,14-16H,1-3,5-6,9-13H2,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402102
(CHEMBL2206630)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1O2 Show InChI InChI=1S/C16H19N5O3S/c1-25(22,23)19-8-14-20-11-7-18-16-10(4-5-17-16)15(11)21(14)12-6-9-2-3-13(12)24-9/h4-5,7,9,12-13,19H,2-3,6,8H2,1H3,(H,17,18) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402085
(CHEMBL2206615)Show SMILES N#CCCN1CCC(CC1)n1c(CC2CCOCC2)nc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C22H28N6O/c23-7-1-9-27-10-3-17(4-11-27)28-20(14-16-5-12-29-13-6-16)26-19-15-25-22-18(21(19)28)2-8-24-22/h2,8,15-17H,1,3-6,9-14H2,(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402105
(CHEMBL2206627)Show InChI InChI=1S/C15H19N5O3S/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402105
(CHEMBL2206627)Show InChI InChI=1S/C15H19N5O3S/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 118 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402093
(CHEMBL2206058)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1C[C@@H]2CC[C@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 355 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402094
(CHEMBL2206639)Show SMILES CS(=O)(=O)NCCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2 Show InChI InChI=1S/C18H23N5O2S/c1-26(24,25)21-7-5-16-22-14-10-20-18-13(4-6-19-18)17(14)23(16)15-9-11-2-3-12(15)8-11/h4,6,10-12,15,21H,2-3,5,7-9H2,1H3,(H,19,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402074
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r| Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 355 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50402095
(CHEMBL2206637)Show InChI InChI=1S/C18H21N5O/c1-10(24)20-9-16-22-14-8-21-18-13(4-5-19-18)17(14)23(16)15-7-11-2-3-12(15)6-11/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3,(H,19,21)(H,20,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur... |
Bioorg Med Chem Lett 22: 7627-33 (2012)
Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP |
More data for this Ligand-Target Pair | |