BDBM50392018 CHEMBL2152409

SMILES CC1(CCN(CC1)S(C)(=O)=O)n1cnc2cnc3[nH]ccc3c12

InChI Key InChIKey=NWNODCMQDYQNDW-UHFFFAOYSA-N

Data  1 KI  1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50392018   

TargetTyrosine-protein kinase JAK1(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50392018(CHEMBL2152409)Copy SMILESCopy InChI

Affinity DataKi:  1.70nMAssay Description:Inhibition of JAK1More data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails
Copy reaction IDArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetTyrosine-protein kinase JAK1(Human)
Argenta Discovery

Curated by ChEMBL

LigandBDBM50392018(CHEMBL2152409)Copy SMILESCopy InChI

Affinity DataEC50:  210nMAssay Description:Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT3 phosphorylationMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoCHEMBLMMDBPC cidPC sidPDBSimilars

In DepthDetails
Copy reaction IDArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI