BDBM50527134 CHEMBL4471306::US20230295213, Compound a

SMILES C[C@@H](c1ccccc1F)Nc2cc(nc3c2cnn3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(CP(=O)(O)O)O)O)O)Cl

InChI Key InChIKey=MFYLCAMJNGIULC-UHFFFAOYSA-N

Data  4 KI  12 IC50  2 EC50

PDB links: 1 PDB ID matches 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 18 hits for monomerid = 50527134   

Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 2.02nMAssay Description:Test compound solution preparation: Stock solution of a test compound was prepared in DMSO at 10 mM concentration. A series of preset 10-concentratio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/30/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.0410nMAssay Description:Inhibition of human CD73 expressed in CHO cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 60 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.0430nMAssay Description:Inhibition of soluble human CD73More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.00800nMAssay Description:Inhibition of CD73 in human CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2....More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Mouse)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.660nMAssay Description:Inhibition of CD73 in mouse CD8-positive T cells using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2....More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.0110nMAssay Description:Inhibition of CD73 in human PBMC using AMP as substrate preincubated for 60 mins followed by substrate addition and measured after 2.5 hrs by PiColor...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 10nMAssay Description:Inhibition of CD39 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 2(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 10nMAssay Description:Inhibition of NTPDase 2 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 3(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 10nMAssay Description:Inhibition of NTPDase 3 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 8(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 10nMAssay Description:Inhibition of NTPDase 8 (unknown origin) expressed in CHO cells using ATP as substrate preincubated for 1 hr followed by substrate addition and measu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
Target5'-nucleotidase(Mouse)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataEC50:  198nMAssay Description:Inhibition of CD73 in mouse EMT6 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Arcus Biosciences

Curated by ChEMBL
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMed
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataIC50: 0.860nMAssay Description:Inhibition of human C-terminal His6-tagged CD73 expressed in CHO cells preincubated for 15 mins followed by AMP addition and measured after 10 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataEC50:  3.30nMAssay Description:Inhibition of CD73 in human NCI-H1568 cells assessed as reduction in AMP-induced ADO expression preincubated for 15 mins followed by AMP addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of recombinant human C-terminal His-tagged CD73 (27 to 549 residues) expressed in HEK293 cells using AMP as substrate preincubated for 1 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataKi:  0.00500nMAssay Description:Competitive reversible inhibition of human C-terminal His6-tagged CD73 expressed in HEK293 cells using AMP as substrate preincubated with substrate f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
Affinity DataKi:  0.00500nMAssay Description:Inhibition of human CD73More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
Target5'-nucleotidase(Human)
Risen (Suzhou) Pharma Tech

US Patent
LigandPNGBDBM50527134(CHEMBL4471306 | US20230295213, Compound a)
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)