BDBM511076 2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3-ethynyl-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)-2-(4-(2-oxotetrahydropyrimidin-1 (2H)-yl)benzyl)malonic acid::US11078228, Example 9

SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)N2CCCNC2=O)(C(O)=O)C(O)=O)[C@](O)(C#C)[C@H]1O

InChI Key InChIKey=ROWSPNRRBJYDCU-UHFFFAOYSA-N

Data  2 KI  13 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 511076   

Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.170nMAssay Description:For measurements of soluble CD73 enzyme activity, recombinant CD73 was obtained from R&D Systems, Cat. No. 5795-EN-010. Serial dilutions of test comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2022
Entry Details
Go to US Patent

Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.170nMAssay Description:Inhibition of bovine CA4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.210nMAssay Description:Inhibition of human CA2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.380nMAssay Description:Inhibition of CD73 in human plasma incubated for 15 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Mouse)
Calithera Biosciences

Curated by ChEMBL
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of C-terminal 6His-tagged recombinant mouse CD73 (29 to 549 residues) expressed in CHO cells incubated for 1 hr by malachite green assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Mouse)
Calithera Biosciences

Curated by ChEMBL
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 1.20nMAssay Description:Inhibition of CD73 in mouse plasma incubated for 5 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.210nMAssay Description:Inhibition of CD73 in human plasma derived from HNSCC cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.150nMAssay Description:Inhibition of CD73 in human plasma derived from ovarian cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.180nMAssay Description:Inhibition of CD73 in human plasma derived from TNBC cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of CD73 in human plasma derived from esophageal cancer patient incubated for 15 mins in presence of 15N5-AMP by LC/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 1(Human)
Calithera Biosciences

Curated by ChEMBL
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of full length human CD39 expressed in human K562 cells incubated for 40 mins in presence of ATP by Kinase Glo assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 2(Human)
Calithera Biosciences

Curated by ChEMBL
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal 6His-tagged recombinant human ENTPD2 (29 to 460 residues) expressed in CHO cells incubated for 30 mins in presence of ATP by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetEctonucleoside triphosphate diphosphohydrolase 3(Human)
Calithera Biosciences

Curated by ChEMBL
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal 6His-tagged recombinant human ENTPD3 (44 to 485 residues) expressed in mouse NS0 cells incubated for 15 mins in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataKi:  0.0380nMAssay Description:Competitive inhibition of soluble C-terminal 6His-tagged recombinant human CD73 (27 to 547 residues) expressed in CHO cells assessed as inhibition co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
Target5'-nucleotidase(Human)
Calithera Biosciences

US Patent
LigandPNGBDBM511076(2-(((2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-y...)
Affinity DataKi:  0.110nMAssay Description:Competitive inhibition of cell surface anchored CD73 (unknown origin) expressed in human SK-MEL-28 cells assessed as inhibition constant incubated fo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed