BDBM50179358 CHEMBL1206141

SMILES CCN(CC)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(P(=O)(O)O)(Br)Br)O)O)O

InChI Key InChIKey=ILXFKEOLRYLPJG-UHFFFAOYSA-N

Data  7 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50179358   

Target5'-nucleotidase(Human)
Federal University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  451nMAssay Description:Binding affinity to recombinant human CD73 expressed in Sf9 cells preincubated for 25 mins and measured after 30 mins by liquid scintillation methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.10E+4nMAssay Description:Competitive inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by Dixo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.20E+4nMAssay Description:Competitive inhibition of human NPP1 transfected in HEK293 cells using p-Nph-5'-TMP as substrate preincubated for 3 mins followed by substrate additi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/19/2017
Entry Details Article
PubMed
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.20E+4nMAssay Description:Competitive inhibition of human NPP1 using pnp-TMP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.20E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.20E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 3(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50179358(CHEMBL1206141)
Affinity DataKi:  1.80E+4nMAssay Description:Competitive inhibition of human NTPDase3 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed