BDBM103961 ATX inhibitor 10::Disubstituted aryl-Me ATX inhibitor 3::Monosubstituted aryl-Me ATX inhibitor 5

SMILES CN1CCN(CC1)C2=NC(=O)/C(=C/c3ccc(c(c3)Cl)Cl)/S2

InChI Key InChIKey=BSGZTQWZIBOTMJ-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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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 = 103961   

LigandPNGBDBM103961(Monosubstituted aryl-Me ATX inhibitor 5 | Disubsti...)
Affinity DataIC50: 180nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM103961(Monosubstituted aryl-Me ATX inhibitor 5 | Disubsti...)
Affinity DataIC50: 640nMAssay Description:Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM103961(Monosubstituted aryl-Me ATX inhibitor 5 | Disubsti...)
Affinity DataIC50: 240nMAssay Description:Inhibitory activities of hit compounds towards ENPP1-5 were calculated using pNP-TMP, and the inhibitory activities of hit compounds towards ENPP6 an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM103961(Monosubstituted aryl-Me ATX inhibitor 5 | Disubsti...)
Affinity DataIC50: 180nMAssay Description:Inhibition of human recombinant ATXMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetAutotaxin(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM103961(Monosubstituted aryl-Me ATX inhibitor 5 | Disubsti...)
Affinity DataIC50: 180nMAssay Description:Inhibition of ATX (unknown origin) expressed in human HEK293 cells using TG-mTMP as substrate after 2 hrs by fluorescence based plate reader assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)