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Found 1035 hits with Last Name = 'jeffrey' and Initial = 'jl'   
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



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))
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
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50378649
PNG
(CHEMBL597197)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-15-10-9-13-5-1-2-6-14(13)11-15)20-21(22)24(28)17-8-4-3-7-16(17)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1
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328n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
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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510n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CD73 in human melanoma 1539 cells using AMP substrate by capillary electrophoresis assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens (Human))
BDBM50010311
PNG
(CHEMBL2364580)
Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H24N5O13P3S/c1-2-3-4-36-14-18-8-11(15)16-6-17-12(8)19(14)13-10(21)9(20)7(30-13)5-29-34(25,26)32-35(27,28)31-33(22,23)24/h6-7,9-10,13,20-21H,2-5H2,1H3,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t7-,9-,10-,13-/m1/s1
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800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Cheng-Prus...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens (Human))
BDBM50552127
PNG
(CHEMBL4750781)
Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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800n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Dixon and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
5'-nucleotidase


(Rattus norvegicus (Rat))
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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870n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat CD73 expressed in baculovirus infected insect cells using AMP substrate by capillary electrophoresis assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens (Human))
BDBM50552126
PNG
(CHEMBL4797422)
Show SMILES CCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|
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900n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CD39 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 10 to 15 mins by Dixon and ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Homo sapiens (Human))
BDBM50179358
PNG
(CHEMBL1206141)
Show SMILES CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
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1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay 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...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 1


(Homo sapiens (Human))
BDBM50179358
PNG
(CHEMBL1206141)
Show SMILES CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a


TBA

Assay 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 ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50227019
PNG
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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1.57E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 2


(Rattus norvegicus)
BDBM50227019
PNG
(CHEMBL271673 | sodium 1-amino-4-(4-chlorophenylami...)
Show SMILES Nc1c(cc(Nc2ccc(Cl)cc2)c2C(=O)c3ccccc3C(=O)c12)S([O-])(=O)=O
Show InChI InChI=1S/C20H13ClN2O5S/c21-10-5-7-11(8-6-10)23-14-9-15(29(26,27)28)18(22)17-16(14)19(24)12-3-1-2-4-13(12)20(17)25/h1-9,23H,22H2,(H,26,27,28)/p-1
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat NTPDase2 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 3


(Homo sapiens (Human))
BDBM50179358
PNG
(CHEMBL1206141)
Show SMILES CCN(CC)c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)C(Br)(Br)P(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1
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1.80E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Competitive inhibition of human NTPDase3 using ATP as substrate preincubated for 3 mins followed by substrate addition and measured after 15 mins by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 2


(Rattus norvegicus)
BDBM50378649
PNG
(CHEMBL597197)
Show SMILES Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2ccc3ccccc3c2)cc1S([O-])(=O)=O
Show InChI InChI=1S/C24H16N2O5S/c25-22-19(32(29,30)31)12-18(26-15-10-9-13-5-1-2-6-14(13)11-15)20-21(22)24(28)17-8-4-3-7-16(17)23(20)27/h1-12,26H,25H2,(H,29,30,31)/p-1
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1.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat NTPDase2 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 1


(Rattus norvegicus)
BDBM50552129
PNG
(CHEMBL4744335)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
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2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat CD39 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
More data for this
Ligand-Target Pair
Ectonucleoside triphosphate diphosphohydrolase 2


(Rattus norvegicus)
BDBM50552129
PNG
(CHEMBL4744335)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1c(cc(-[#7]-c2ccc(-[#7]-c3nc(Cl)nc(-[#7]-c4ccc(c(c4)S([#8-])(=O)=O)S([#8-])(=O)=O)n3)c(c2)S([#8-])(=O)=O)c2-[#6](=O)-c3ccccc3-[#6](=O)-c12)S([#8-])(=O)=O
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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2.42E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat NTPDase2 expressed in CHO cells using ATP as substrate incubated for 10 mins by UV absorbance method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01044
BindingDB Entry DOI: 10.7270/Q2B27ZZ6
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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n/an/a 0.00800n/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))
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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n/an/a 0.0110n/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))
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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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))
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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n/an/a 0.0410n/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))
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|
PDB

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KEGG

UniProtKB/SwissProt

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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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antibodypedia
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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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antibodypedia
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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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antibodypedia
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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|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
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))
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|
PDB

UniProtKB/SwissProt

antibodypedia
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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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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 0.660n/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))
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|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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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)
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