BDBM50234898 CHEMBL4068357::D3RKN_91

SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CCCC1

InChI Key InChIKey=RONMOMUOZGIDET-HIFRSBDPSA-N

Data  8 IC50  2 Kd

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 10 hits for monomerid = 50234898   

TargetTyrosine-protein kinase JAK1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  38nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetTyrosine-protein kinase JAK2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  124nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTyrosine-protein kinase JAK3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  139nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  1.63E+3nMAssay Description:Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataKd:  1.00E+4nMAssay Description:D3R2023More data for this Ligand-Target Pair
In DepthDetails D3R


TargetTyrosine-protein kinase JAK2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  7.10nMAssay Description:Inhibition of human JAK2 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetTyrosine-protein kinase JAK3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  2.80nMAssay Description:Inhibition of human JAK3 using FITC-KGGEEEEYFELVKK as substrate by caliper microfluidic mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  128nMAssay Description:Inhibition of human TYK2 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataKd:  1.40E+3nMAssay Description:D3R2021More data for this Ligand-Target Pair
In DepthDetails D3R


TargetTyrosine-protein kinase JAK1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Affinity DataIC50:  7.5nMAssay Description:Inhibition of human JAK1 using 5FAM-KKSRGDYMTMQID as substrate by caliper microfluidic mobility shift assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed