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Compile Data Set for Download or QSAR

Found 812 hits with Last Name = 'leleti' and Initial = 'mr'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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0.00500n/an/an/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay 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...


J Med Chem 63: 3935-3955 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01713
BindingDB Entry DOI: 10.7270/Q2G1648T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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0.00500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive reversible inhibition of human C-terminal His6-tagged CD73 expressed in HEK293 cells using AMP as substrate preincubated with substrate f...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50602541
PNG
(CHEMBL5209268)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@@](C)(O)CC3)c2n1 |r,wU:30.32,1.1,33.37,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
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0.700n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01153
BindingDB Entry DOI: 10.7270/Q2KH0SCH
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM18136
PNG
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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88n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CD73 using AMP as substrate by Malachite green phosphate reagent-based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM18136
PNG
(ADP, alpha beta-me | AMPCPP | [({[(2R,3S,4R,5R)-5-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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88n/an/an/an/an/an/an/an/a



Arcus Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human CD73


J Med Chem 63: 3935-3955 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01713
BindingDB Entry DOI: 10.7270/Q2G1648T
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.00270n/an/an/an/an/an/a


TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.00850n/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546280
PNG
(CHEMBL4761506)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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n/an/a 0.0100n/an/an/an/an/an/a


TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546280
PNG
(CHEMBL4761506)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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n/an/a 0.0210n/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546290
PNG
(CHEMBL4749428)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.0270n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546285
PNG
(CHEMBL4776758)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ccc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
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n/an/a 0.0280n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546284
PNG
(CHEMBL4740465)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1cccc(F)c1 |r|
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n/an/a 0.0310n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546281
PNG
(CHEMBL4746184)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ccc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546283
PNG
(CHEMBL4797225)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ccc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1cccc(F)c1 |r|
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n/an/a 0.0320n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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n/an/a 0.0430n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of soluble human CD73


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.0450n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546289
PNG
(CHEMBL4790144)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1ncc2c(NCc3ccccc3)nc(Cl)nc12 |r|
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n/an/a 0.0520n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.0530n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of soluble human CD73


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546287
PNG
(CHEMBL4745002)
Show SMILES C[C@@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.0580n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546286
PNG
(CHEMBL4784155)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
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n/an/a 0.0700n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546282
PNG
(CHEMBL4777161)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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n/an/a 0.0950n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546280
PNG
(CHEMBL4761506)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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n/an/a 0.115n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546324
PNG
(CHEMBL4753354)
Show SMILES CN(C1CCCC1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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n/an/a 0.120n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546325
PNG
(CHEMBL4758486)
Show SMILES CN(C1CCCC1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F |r|
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546294
PNG
(CHEMBL4763896)
Show SMILES O[C@H]1[C@H](F)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.150n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50546288
PNG
(CHEMBL4743437)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546326
PNG
(CHEMBL4744502)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546322
PNG
(CHEMBL4788910)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546318
PNG
(CHEMBL4780231)
Show SMILES C[C@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546327
PNG
(CHEMBL4748647)
Show SMILES O[C@H]1[C@H](F)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cnc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50566247
PNG
(CHEMBL4791237)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CD73 expressed in CHO cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01835
BindingDB Entry DOI: 10.7270/Q2NG4VF1
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50561221
PNG
(CHEMBL4745473 | US11377469, Example 95)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CD73 in human SK-OV-3 cells incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01835
BindingDB Entry DOI: 10.7270/Q2NG4VF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546298
PNG
(CHEMBL4748576)
Show SMILES COCc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]3F)c2n1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50527134
PNG
(CHEMBL4471306 | US20230295213, Compound a)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r|
Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1
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TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546328
PNG
(CHEMBL4746820)
Show SMILES CC(C)Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546323
PNG
(CHEMBL4779616)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(NCc3ccccc3)nc(Cl)nc12 |r|
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n/an/a 0.700n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546320
PNG
(CHEMBL4750588)
Show SMILES C[C@@H](Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1 |r|
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TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50602525
PNG
(CHEMBL5174699)
Show SMILES C[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1)C(F)(F)F |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01153
BindingDB Entry DOI: 10.7270/Q2KH0SCH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50602535
PNG
(CHEMBL5171421)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1 |r|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01153
BindingDB Entry DOI: 10.7270/Q2KH0SCH
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546313
PNG
(CHEMBL4761534)
Show SMILES O[C@H]1[C@H](F)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cnc2c(N[C@H]3CCOC3)nc(Cl)nc12 |r|
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TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
5'-nucleotidase


(Mus musculus)
BDBM50546280
PNG
(CHEMBL4761506)
Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccc(F)cc1 |r|
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n/an/a 0.830n/an/an/an/an/an/a


TBA

Assay 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....


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-nucleotidase


(Homo sapiens (Human))
BDBM50561221
PNG
(CHEMBL4745473 | US11377469, Example 95)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COCP(O)(O)=O)n1ncc2c(NC3CCCC3)nc(Cl)nc12 |r|
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n/an/a 0.860n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of soluble human CD73 incubated for 60 mins before addition of AMP and further incubated for 60 mins by colorimetric assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01835
BindingDB Entry DOI: 10.7270/Q2NG4VF1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50602531
PNG
(CHEMBL5179088)
Show SMILES CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:32.33,12.13,wD:35.38,(.21,-3.84,;.21,-2.3,;1.55,-1.53,;2.88,-2.3,;1.55,-3.07,;1.55,.01,;.21,.78,;.21,2.32,;1.54,3.09,;2.87,2.32,;4.34,2.8,;5.24,1.55,;6.78,1.55,;7.55,2.89,;7.55,.22,;9.09,.22,;6.78,-1.11,;8.1,-1.24,;4.34,.31,;4.74,-1.18,;2.87,.78,;-1.12,3.09,;-1.12,4.63,;-2.45,5.39,;-3.78,4.63,;-5.24,5.1,;-6.15,3.86,;-7.69,3.86,;-5.24,2.61,;-6.01,1.28,;-7.55,1.28,;-5.24,-.06,;-6.01,-1.39,;-5.24,-2.72,;-6.01,-4.06,;-7.55,-4.06,;-8.32,-5.39,;-9.09,-4.06,;-8.32,-2.72,;-7.55,-1.39,;-3.78,3.09,;-2.44,2.33,)|
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01153
BindingDB Entry DOI: 10.7270/Q2KH0SCH
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546314
PNG
(CHEMBL4741516)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(nc(Cl)nc12)N1CCCC1 |r|
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n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50602536
PNG
(CHEMBL5206549)
Show SMILES C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1 |r,wU:31.33,1.1,wD:34.38,(7.66,2.89,;6.89,1.55,;7.66,.22,;7.66,-1.32,;8.99,-.55,;5.35,1.55,;4.44,2.8,;2.98,2.32,;1.65,3.09,;.31,2.32,;.31,.78,;1.65,.01,;1.65,-1.53,;.32,-2.3,;.32,-3.84,;-1.02,-1.53,;.32,-.76,;2.98,.78,;4.44,.31,;4.84,-1.18,;-1.02,3.09,;-1.02,4.63,;-2.34,5.39,;-3.67,4.63,;-5.14,5.1,;-6.04,3.86,;-7.58,3.86,;-5.14,2.61,;-5.91,1.28,;-7.45,1.28,;-5.14,-.06,;-5.91,-1.39,;-5.14,-2.72,;-5.91,-4.06,;-7.45,-4.06,;-8.22,-5.39,;-8.99,-4.06,;-8.22,-2.72,;-7.45,-1.39,;-3.67,3.09,;-2.34,2.33,)|
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01153
BindingDB Entry DOI: 10.7270/Q2KH0SCH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50546764
PNG
(CHEMBL4740423)
Show SMILES CC(C)c1cc(ccc1C(O)=O)-c1c(N)nn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)C(F)(F)F |r|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal His-tagged full-length human PI3K p120gamma expressed in Sf9 insect cells using phosphatidylinositol 4,5-bisphos...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01203
BindingDB Entry DOI: 10.7270/Q2K35Z80
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50546311
PNG
(CHEMBL4755101)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@H]1F)n1cnc2c(nc(Cl)nc12)N1Cc2ccccc2C1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00525
BindingDB Entry DOI: 10.7270/Q29W0K29
More data for this
Ligand-Target Pair
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