BDBM50244721 CHEMBL4100398

SMILES CN1c2ccc(cc2OC[C@@H](C1=O)N3CCc4c(nn(c4Cl)Cc5ccccc5)C3=O)C#N

InChI Key InChIKey=JWKONLKXWPCOJF-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50244721   

TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50244721(CHEMBL4100398)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of RIPK1 in human HT-29 cells assessed as decrease in TNFalpha/AT-406/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50244721(CHEMBL4100398)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of RIPK1 in mouse L929 cells assessed as decrease in TNFalpha/zVAD-FMK-induced MLKL phosphorylation at S358 residue preincubated for 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details Article
PubMed
TargetReceptor-interacting serine/threonine-protein kinase 1(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50244721(CHEMBL4100398)
Affinity DataKi:  0.912nMAssay Description:Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetReceptor-interacting serine/threonine-protein kinase 1(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50244721(CHEMBL4100398)
Affinity DataKi:  81nMAssay Description:Inhibition of fluorescent-labeled 3-(3-((3-(4-amino-5-(4-(3-(2-fluoro-5-(trifluoromethyl)phenyl)ureido)-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)propy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2019
Entry Details Article
PubMed