BDBM50526225 CHEMBL4452711

SMILES c1cc(c(cc1CN2C=C(c3c(cnn3C4CCNCC4)C2=O)C(=O)Nc5ccncc5)Cl)Cl

InChI Key InChIKey=BMOUOZDRMBLNSI-UHFFFAOYSA-N

Data  6 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

  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 8 hits for monomerid = 50526225   

TargetCytochrome P450 2C9(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 5.90E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetFascin(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 240nMAssay Description:Inhibition of human (His8)2-tagged fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS assessed as reduction in F-actin bundling...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 2D6(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetFascin(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataKd:  50nMAssay Description:Binding affinity to human fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS by ITCMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetFascin(Human)
Cruk Beatson Institute

Curated by ChEMBL
LigandPNGBDBM50526225(CHEMBL4452711)
Affinity DataKd:  90nMAssay Description:Binding affinity to human fascin (1 to 493 residues) expressed in Escherichia coli BL21(DE3) pLysS by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)