Found 5 hits for monomerid = 50243850 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 JAK2
(Homo sapiens (Human)) | BDBM50243850
(CHEMBL4100431)Show SMILES CN([C@@H]1C[C@@H](C1)NS(C)(=O)=O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(3.77,-11.84,;5.11,-12.61,;6.44,-11.83,;6.83,-10.34,;8.32,-10.73,;7.93,-12.22,;9.65,-9.96,;10.98,-10.72,;12.32,-9.95,;11.74,-12.05,;10.21,-12.04,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.43,;6.45,-14.91,)| Show InChI InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.29E+3 | 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 | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243850
(CHEMBL4100431)Show SMILES CN([C@@H]1C[C@@H](C1)NS(C)(=O)=O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(3.77,-11.84,;5.11,-12.61,;6.44,-11.83,;6.83,-10.34,;8.32,-10.73,;7.93,-12.22,;9.65,-9.96,;10.98,-10.72,;12.32,-9.95,;11.74,-12.05,;10.21,-12.04,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.43,;6.45,-14.91,)| Show InChI InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 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 | 
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50243850
(CHEMBL4100431)Show SMILES CN([C@@H]1C[C@@H](C1)NS(C)(=O)=O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(3.77,-11.84,;5.11,-12.61,;6.44,-11.83,;6.83,-10.34,;8.32,-10.73,;7.93,-12.22,;9.65,-9.96,;10.98,-10.72,;12.32,-9.95,;11.74,-12.05,;10.21,-12.04,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.43,;6.45,-14.91,)| Show InChI InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| 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 | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50243850
(CHEMBL4100431)Show SMILES CN([C@@H]1C[C@@H](C1)NS(C)(=O)=O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(3.77,-11.84,;5.11,-12.61,;6.44,-11.83,;6.83,-10.34,;8.32,-10.73,;7.93,-12.22,;9.65,-9.96,;10.98,-10.72,;12.32,-9.95,;11.74,-12.05,;10.21,-12.04,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.43,;6.45,-14.91,)| Show InChI InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 750 | 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 |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50243850
(CHEMBL4100431)Show SMILES CN([C@@H]1C[C@@H](C1)NS(C)(=O)=O)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(3.77,-11.84,;5.11,-12.61,;6.44,-11.83,;6.83,-10.34,;8.32,-10.73,;7.93,-12.22,;9.65,-9.96,;10.98,-10.72,;12.32,-9.95,;11.74,-12.05,;10.21,-12.04,;5.11,-14.15,;3.78,-14.92,;3.78,-16.46,;5.12,-17.23,;6.46,-16.45,;7.93,-16.92,;8.83,-15.67,;7.91,-14.43,;6.45,-14.91,)| Show InChI InChI=1S/C12H17N5O2S/c1-17(9-5-8(6-9)16-20(2,18)19)12-10-3-4-13-11(10)14-7-15-12/h3-4,7-9,16H,5-6H2,1-2H3,(H,13,14,15)/t8-,9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in CD34+ human whole blood assessed as reduction in EOP induced STAT5 phosphorylation preincubated for 45 mins followed by EOP add... |
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 | |
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