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SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cn(C)nc12

InChI Key

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50545973   

TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))TBA
LigandPNGBDBM50545973(CHEMBL4781423 | US11649241, Example 1)copy SMILES
Affinity DataKi:  3.63nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))TBA
LigandPNGBDBM50545973(CHEMBL4781423 | US11649241, Example 1)copy SMILES
Affinity DataKi:  3.66nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2QZ2FX1
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))TBA
LigandPNGBDBM50545973(CHEMBL4781423 | US11649241, Example 1)copy SMILES
Affinity DataKi:  4.30nMAssay Description:Inhibition of recombinant human JAK1 (854 to 1154 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))TBA
LigandPNGBDBM50545973(CHEMBL4781423 | US11649241, Example 1)copy SMILES
Affinity DataKi:  4.70nMAssay Description:Inhibition of recombinant human JAK2 (812 to 1132 residues) expressed in insect cells using Y1-B as substrate incubated for 30 mins by microfluidic m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q269776TPubMed
LigandPNGBDBM50545973(CHEMBL4781423 | US11649241, Example 1)copy SMILES
Affinity DataIC50: 93nMAssay Description:Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB