BDBM5832 3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl})amino]phenyl}-1-[4-(trifluoromethoxy)phenyl]urea::urea deriv. 23

SMILES CN(c1ccc(cc1)NC(=O)Nc2ccc(cc2)OC(F)(F)F)c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N

InChI Key InChIKey=SNRUTMWCDZHKKM-UHFFFAOYSA-N

Data  1 IC50  9 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 5832   

LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataIC50: 2nMpH: 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
TargetMixed lineage kinase domain-like protein(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  9.30E+3nMAssay Description:Binding affinity to MLKL (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
West China Hospital

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  64nMAssay 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
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  680nMAssay 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)
Fudan University

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  530nMAssay 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)
Fudan University

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  530nMAssay Description:Binding affinity to full length MLKL (unknown origin) expressed in human HEK293 cells assessed as dissociation constant incubated for 30 mins by Comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMixed lineage kinase domain-like protein(Mus musculus)
The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  9.30E+3nMAssay Description:Binding affinity to recombinant mouse MLKL pseudokinase domain (179 to 464 residues) expressed in Sf21 insect cells assessed as dissociation constant...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetMixed lineage kinase domain-like protein(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  530nMAssay 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
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  64nMAssay 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
LigandPNGBDBM5832(3-{4-[methyl({2-[(3-sulfamoylphenyl)amino]pyrimidi...)
Affinity DataKd:  680nMAssay 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