BDBM50405272 BDBM50516678::CHEMBL4596287

SMILES CC(C)(C)S(=O)(=O)c1cc2c(cc1OCCOP(=O)(O)O)ncnc2Nc3ccc4c(c3)ncs4

InChI Key InChIKey=MJLYDVMFNHZMLV-UHFFFAOYSA-N

Data  2 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50405272   

TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataKd:  0.780nMAssay Description:Binding affinity to RIPK2 (unknown origin) assessed as dissociation constant by kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataIC50: 4nMAssay Description:Inhibition of N-terminal polyHis-tagged human RIPK2 (8 to 310 residues) expressed in Sf9 cells using MBP as substrate preincubated for 15 mins follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataIC50: 38nMAssay Description:Inhibition of RIPK2-mediated NF-kappaB signalling in MDP-treated human THP-1 cells preincubated for 30 mins followed by MDP addition measured after 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 2(Human)
Soochow University

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataIC50: 92nMAssay Description:Inhibition of RIPK2-mediated NF-kappaB signalling in C14-TriLAN-Gly-treated human THP-1 cells preincubated for 30 mins followed by C14-TriLAN-Gly add...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERG (1159 residues) expressed in CHOK1 cells at -80 mV holding potential measured after 5 mins by QPatch electrophysiology methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50405272(BDBM50516678 | CHEMBL4596287)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed