Found 5 hits for monomerid = 50544785 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 |
|---|
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50544785
(CHEMBL4645258)Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50544785
(CHEMBL4645258)Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50544785
(CHEMBL4645258)Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human Jurkat cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 30: (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50544785
(CHEMBL4645258)Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50544785
(CHEMBL4645258)Show SMILES [H][C@@]12CN(C(=O)[C@]1(C#N)C1CC1)c1ccnc(Nc3cccc(CCNC(=O)COC2)n3)c1 |r| Show InChI InChI=1S/C23H24N6O3/c24-14-23(15-4-5-15)16-11-29(22(23)31)18-7-9-25-20(10-18)28-19-3-1-2-17(27-19)6-8-26-21(30)13-32-12-16/h1-3,7,9-10,15-16H,4-6,8,11-13H2,(H,26,30)(H,25,27,28)/t16-,23+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Limited
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
Bioorg Med Chem Lett 30: (2020)
|
More data for this
Ligand-Target Pair | |
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