BDBM50526225 CHEMBL4452711

SMILES Clc1ccc(Cn2cc(C(=O)Nc3ccncc3)c3n(ncc3c2=O)C2CCNCC2)cc1Cl

InChI Key InChIKey=BMOUOZDRMBLNSI-UHFFFAOYSA-N

Data  6 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50526225   

TargetCytochrome P450 2C9(Homo sapiens (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 DepthDetails ArticlePubMed
TargetFascin(Homo sapiens (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
TargetCytochrome P450 2D6(Homo sapiens (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 DepthDetails ArticlePubMed
TargetFascin(Homo sapiens (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
TargetCytochrome P450 3A4(Homo sapiens (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 DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (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 DepthDetails ArticlePubMed
TargetFascin(Homo sapiens (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