BDBM50538427 CHEMBL4641666

SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1cncn1C(C)C

InChI Key InChIKey=FDGHCHUHLVBKLS-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50538427   

LigandPNGBDBM50538427(CHEMBL4641666)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human ASK1 using myelin basic protein substrate preincubated for 20 mins before [33P]-ATP addition and measured after 2 hrs by filter-b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
LigandPNGBDBM50538427(CHEMBL4641666)
Affinity DataIC50: 93nMAssay Description:Inhibition of V5 tagged human ASK1 expressed in HEK293T cells assessed as reduction in T848 autophosphorylation incubated for 1 hr by MSD assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50538427(CHEMBL4641666)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using midazolam as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Biogen

Curated by ChEMBL
LigandPNGBDBM50538427(CHEMBL4641666)
Affinity DataIC50: 700nMAssay Description:Inhibition of CYP2C9 (unknown origin) using tolbutamide as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
LigandPNGBDBM50538427(CHEMBL4641666)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed