BDBM50209754 CHEMBL3884293

SMILES CCC(=O)Nc1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3)N4CCN(CC4)C)Cl

InChI Key InChIKey=IIMJCIGRKJCCHT-UHFFFAOYSA-N

Data  2 IC50

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50209754   

TargetMitogen-activated protein kinase kinase kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209754(CHEMBL3884293)
Affinity DataIC50: 1.63E+3nMAssay Description:Inhibition of full length recombinant human GST-tagged TAK1 expressed in baculovirus expression system after 1 hr by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/5/2018
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase 7(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50209754(CHEMBL3884293)
Affinity DataIC50: 1.63E+3nMAssay Description:Inhibition of TAK1 (unknown origin) by LanthaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/30/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)