BDBM50542403 CHEMBL4638906

SMILES c1c(cn(n1)CCO)Nc2ncc(c(n2)N3C[C@H]4C[C@]4(C3)NC(=O)[C@H]5C[C@@H]5C#N)F

InChI Key InChIKey=OCNRQCROIYCWQL-UHFFFAOYSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50542403   

LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 67nMAssay Description:Inhibition of human recombinant TYK2 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQID and ATP by mobility shi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTyrosine-protein kinase JAK1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 304nMAssay Description:Inhibition of human recombinant JAK1 assessed as level of phosphorylation in presence of peptide substrate 5FAM-KKSRGDYMTMQUID and ATP by mobility sh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 2.17E+3nMAssay Description:Inhibition of human recombinant JAK2 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility sh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetTyrosine-protein kinase JAK3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant JAK3 assessed as level of phosphorylation in presence of peptide substrate FITC-KGGEEEEYFELVKK and ATP by mobility sh...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of JAK1/TYK2 in human whole blood assessed as reduction in IFNalpha-induced STAT phosphorylation by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50542403(CHEMBL4638906)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of JAK1/TYK2 in human whole blood assessed as EPO signalling in CD34+ cells by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)