BDBM50458813 CHEMBL4218701

SMILES CS[C@]1(CCN(CC(=O)N2CCC(=CC2)c2ccc(cc2)-c2ncccn2)C1)C(=O)Nc1ccc2[nH]nc(-c3ccc4OCOc4c3)c2c1

InChI Key InChIKey=QXMPFULBALJFJX-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458813   

TargetMitogen-activated protein kinase 1(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50458813(CHEMBL4218701)
Affinity DataIC50: 13nMAssay Description:Inhibition of ERK2 (unknown origin) using peptide substrate measured after 45 mins by IMAP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetMitogen-activated protein kinase 3(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50458813(CHEMBL4218701)
Affinity DataIC50: 45nMAssay Description:Inhibition of ERK1 (unknown origin) using peptide substrate measured after 45 mins by IMAP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50458813(CHEMBL4218701)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP3A4 (unknown origin) preincubated followed by substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed