Found 5 hits for monomerid = 50243839 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)) | BDBM50243839
(CHEMBL4099048)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)| Show InChI InChI=1S/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+ | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity of the Compound was tested against HIV protease enzyme. |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50243839
(CHEMBL4099048)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)| Show InChI InChI=1S/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+ | PDB
KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TYK2 using 5'FAM-KKSRGDYMTMQID as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243839
(CHEMBL4099048)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)| Show InChI InChI=1S/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+ | 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 | 939 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human JAK2 using FITC-KGGEEEEYFELVKK as substrate in presence of 1 mM ATP by mobility shift assay |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243839
(CHEMBL4099048)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)| Show InChI InChI=1S/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+ | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 216 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha induced STAT3 phosphorylation preincubated for 45 mins followed by IFN... |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243839
(CHEMBL4099048)Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CCCC#N)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(6.15,-11.79,;7.49,-12.56,;8.82,-11.79,;9.21,-10.29,;10.7,-10.68,;10.31,-12.17,;12.03,-9.91,;13.36,-10.67,;14.12,-12,;12.59,-12,;14.7,-9.9,;16.03,-10.67,;17.37,-9.91,;18.7,-10.68,;20.03,-11.45,;7.49,-14.1,;6.17,-14.87,;6.16,-16.42,;7.5,-17.19,;8.84,-16.41,;10.31,-16.87,;11.21,-15.62,;10.29,-14.38,;8.83,-14.86,)| Show InChI InChI=1S/C15H20N6O2S/c1-21(15-13-4-6-17-14(13)18-10-19-15)12-8-11(9-12)20-24(22,23)7-3-2-5-16/h4,6,10-12,20H,2-3,7-9H2,1H3,(H,17,18,19)/t11-,12+ | 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 | >6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated for the binding affinity to Endothelin B receptor in the rat cerebellum |
J Med Chem 61: 1130-1152 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW |
More data for this Ligand-Target Pair | |