BDBM50538424 CHEMBL4643577

SMILES COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1C(C)C

InChI Key InChIKey=XCGWZOOSJWALQR-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50538424   

LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 3.90nMAssay 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
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 90nMAssay 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
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 1.00E+4nMAssay 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
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 1.00E+4nMAssay 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
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMed
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 6nMAssay Description:Inhibition of ASK1 (unknown origin) using myelin basic protein as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
LigandPNGBDBM50538424(CHEMBL4643577)
Affinity DataIC50: 90nMAssay Description:Inhibition of full-length human ASK1 expressed in HEK293T cells assessed as reduction in autophosphorylation of ASK1 at T383 residue incubated for 1 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed