BDBM5828 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl})amino]phenyl}urea::urea deriv. 19

SMILES CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N

InChI Key InChIKey=PPTQWMQTXBVAHT-UHFFFAOYSA-N

Data  1 IC50  6 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 5828   

LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataIC50: 1nMpH: 7.5 T: 2°CAssay Description:The assay was using baculovirus-expressed recombinant protein kinase purified as the intracellular domain fused by GST tag, interacting with biotinyl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/7/2005
Entry Details Article
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  19nMAssay Description:Binding affinity to RIPK1 (unknown origin) by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to RIPK3 (unknown origin) by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetMixed lineage kinase domain-like protein(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  1.80E+3nMAssay Description:Binding affinity to full length human MLKL pseudokinase domain by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMixed lineage kinase domain-like protein(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  1.80E+3nMAssay Description:Binding affinity to full length human MLKL assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  19nMAssay Description:Binding affinity to RIPK1 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 3(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5828(1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-{4-[methy...)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to RIPK3 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed