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Compile Data Set for Download or QSAR

Found 141 hits of ic50 data for polymerid = 9345   
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))
BDBM50271162
PNG
(CHEMBL4127683)
Show SMILES Oc1c(F)c(Cl)cc2c1N=C(Nc1cccc3[nH]ncc13)NS2(=O)=O
Show InChI InChI=1S/C14H9ClFN5O3S/c15-7-4-10-12(13(22)11(7)16)19-14(21-25(10,23)24)18-8-2-1-3-9-6(8)5-17-20-9/h1-5,22H,(H,17,20)(H2,18,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 16n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human flag-tagged CD73 Thr376Ala mutant (1 to 552 residues) assessed as reduction in conversion of AMP to adenosine incubated for 10 mi...


ACS Med Chem Lett 8: 781-782 (2017)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420007
PNG
(US10472364, Compound 79)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccccc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C26H23ClFN5O7/c27-25-31-20(29)18-21(32-25)33(12-30-18)22-17(28)19(34)16(40-22)11-39-26(23(35)36,24(37)38)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,12,16-17,19,22,34H,10-11H2,(H,35,36)(H,37,38)(H2,29,31,32)/t16-,17+,19-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419992
PNG
(US10472364, Compound 65)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(OCc3ccccc3)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C27H25ClFN5O8/c28-26-32-21(30)19-22(33-26)34(13-31-19)23-18(29)20(35)17(42-23)12-41-27(24(36)37,25(38)39)10-14-6-8-16(9-7-14)40-11-15-4-2-1-3-5-15/h1-9,13,17-18,20,23,35H,10-12H2,(H,36,37)(H,38,39)(H2,30,32,33)/t17-,18+,20-,23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 31n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419981
PNG
(US10472364, Compound 58)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(C(O)=O)c(F)c2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF2N5O9/c22-20-27-14(25)12-15(28-20)29(6-26-12)16-11(24)13(30)10(38-16)5-37-21(18(33)34,19(35)36)4-7-1-2-8(17(31)32)9(23)3-7/h1-3,6,10-11,13,16,30H,4-5H2,(H,31,32)(H,33,34)(H,35,36)(H2,25,27,28)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 38n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420019
PNG
(US10472364, Compound 89)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(OCC(F)(F)F)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C22H20ClF4N5O8/c23-20-30-15(28)13-16(31-20)32(8-29-13)17-12(24)14(33)11(40-17)6-39-21(18(34)35,19(36)37)5-9-1-3-10(4-2-9)38-7-22(25,26)27/h1-4,8,11-12,14,17,33H,5-7H2,(H,34,35)(H,36,37)(H2,28,30,31)/t11-,12+,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 43n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420009
PNG
(US10472364, Compound 80)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(Cl)cc2F)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H17Cl2F2N5O7/c21-8-2-1-7(9(23)3-8)4-20(17(31)32,18(33)34)35-5-10-13(30)11(24)16(36-10)29-6-26-12-14(25)27-19(22)28-15(12)29/h1-3,6,10-11,13,16,30H,4-5H2,(H,31,32)(H,33,34)(H2,25,27,28)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 44n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419984
PNG
(US10472364, Compound 60)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(c(F)c2)C(F)(F)F)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H17ClF5N5O7/c22-19-30-14(28)12-15(31-19)32(6-29-12)16-11(24)13(33)10(39-16)5-38-20(17(34)35,18(36)37)4-7-1-2-8(9(23)3-7)21(25,26)27/h1-3,6,10-11,13,16,33H,4-5H2,(H,34,35)(H,36,37)(H2,28,30,31)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419950
PNG
(US10472364, Compound 36)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(OC(F)(F)F)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF4N5O8/c22-19-29-14(27)12-15(30-19)31(7-28-12)16-11(23)13(32)10(38-16)6-37-20(17(33)34,18(35)36)5-8-1-3-9(4-2-8)39-21(24,25)26/h1-4,7,10-11,13,16,32H,5-6H2,(H,33,34)(H,35,36)(H2,27,29,30)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 57n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420016
PNG
(US10472364, Compound 86)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)S(N)(=O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H20ClFN6O9S/c21-19-26-14(23)12-15(27-19)28(7-25-12)16-11(22)13(29)10(37-16)6-36-20(17(30)31,18(32)33)5-8-1-3-9(4-2-8)38(24,34)35/h1-4,7,10-11,13,16,29H,5-6H2,(H,30,31)(H,32,33)(H2,23,26,27)(H2,24,34,35)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 62n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50271161
PNG
(CHEMBL4127838)
Show SMILES Oc1cc(Cl)c(Br)c2c1NC(Nc1cc(F)c3[nH]ccc3c1)=NS2(=O)=O
Show InChI InChI=1S/C15H9BrClFN4O3S/c16-11-8(17)5-10(23)13-14(11)26(24,25)22-15(21-13)20-7-3-6-1-2-19-12(6)9(18)4-7/h1-5,19,23H,(H2,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 63n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human flag-tagged CD73 Thr376Ala mutant (1 to 552 residues) assessed as reduction in conversion of AMP to adenosine incubated for 10 mi...


ACS Med Chem Lett 8: 781-782 (2017)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420003
PNG
(US10472364, Compound 76)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2csc(c2)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C19H17ClFN5O9S/c20-18-24-12(22)10-13(25-18)26(5-23-10)14-9(21)11(27)7(35-14)3-34-19(16(30)31,17(32)33)2-6-1-8(15(28)29)36-4-6/h1,4-5,7,9,11,14,27H,2-3H2,(H,28,29)(H,30,31)(H,32,33)(H2,22,24,25)/t7-,9+,11-,14-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 74n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420017
PNG
(US10472364, Compound 87)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)C(=O)NCCC(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C24H24ClFN6O10/c25-23-30-17(27)15-18(31-23)32(9-29-15)20-14(26)16(35)12(42-20)8-41-24(21(37)38,22(39)40)7-10-1-3-11(4-2-10)19(36)28-6-5-13(33)34/h1-4,9,12,14,16,20,35H,5-8H2,(H,28,36)(H,33,34)(H,37,38)(H,39,40)(H2,27,30,31)/t12-,14+,16-,20-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 83n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420006
PNG
(US10472364, Compound 78)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(CC(O)=O)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C22H21ClFN5O9/c23-21-27-16(25)14-17(28-21)29(8-26-14)18-13(24)15(32)11(38-18)7-37-22(19(33)34,20(35)36)6-10-3-1-9(2-4-10)5-12(30)31/h1-4,8,11,13,15,18,32H,5-7H2,(H,30,31)(H,33,34)(H,35,36)(H2,25,27,28)/t11-,13+,15-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
KEGG
UniChem
US Patent
n/an/a 86n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419948
PNG
(US10472364, Compound 34)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)C#N)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClFN6O7/c22-20-27-15(25)13-16(28-20)29(8-26-13)17-12(23)14(30)11(36-17)7-35-21(18(31)32,19(33)34)5-9-1-3-10(6-24)4-2-9/h1-4,8,11-12,14,17,30H,5,7H2,(H,31,32)(H,33,34)(H2,25,27,28)/t11-,12+,14-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 97n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50271160
PNG
(CHEMBL4126449)
Show SMILES Oc1cccc(NC2=Nc3c(O)cc(F)cc3S(=O)(=O)N2)c1
Show InChI InChI=1S/C13H10FN3O4S/c14-7-4-10(19)12-11(5-7)22(20,21)17-13(16-12)15-8-2-1-3-9(18)6-8/h1-6,18-19H,(H2,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 100n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human flag-tagged CD73 Thr376Ala mutant (1 to 552 residues) assessed as reduction in conversion of AMP to adenosine incubated for 10 mi...


ACS Med Chem Lett 8: 781-782 (2017)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420023
PNG
(US10472364, Compound 95)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2ccccc2C#N)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C27H22ClFN6O7/c28-26-33-21(31)19-22(34-26)35(12-32-19)23-18(29)20(36)17(42-23)11-41-27(24(37)38,25(39)40)9-13-5-7-14(8-6-13)16-4-2-1-3-15(16)10-30/h1-8,12,17-18,20,23,36H,9,11H2,(H,37,38)(H,39,40)(H2,31,33,34)/t17-,18+,20-,23-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 105n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419934
PNG
(US10472364, Compound 20)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)C(F)(F)F)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF4N5O7/c22-19-29-14(27)12-15(30-19)31(7-28-12)16-11(23)13(32)10(38-16)6-37-20(17(33)34,18(35)36)5-8-1-3-9(4-2-8)21(24,25)26/h1-4,7,10-11,13,16,32H,5-6H2,(H,33,34)(H,35,36)(H2,27,29,30)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 109n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419960
PNG
(US10472364, Compound 42)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(c2)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H19ClFN5O9/c22-20-26-14(24)12-15(27-20)28(7-25-12)16-11(23)13(29)10(37-16)6-36-21(18(32)33,19(34)35)5-8-2-1-3-9(4-8)17(30)31/h1-4,7,10-11,13,16,29H,5-6H2,(H,30,31)(H,32,33)(H,34,35)(H2,24,26,27)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 119n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419920
PNG
(US10472364, Compound 6 | US10472364, Compound 7)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H19ClFN5O7/c21-19-25-14(23)12-15(26-19)27(8-24-12)16-11(22)13(28)10(34-16)7-33-20(17(29)30,18(31)32)6-9-4-2-1-3-5-9/h1-5,8,10-11,13,16,28H,6-7H2,(H,29,30)(H,31,32)(H2,23,25,26)/t10-,11+,13-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
UniChem
US Patent
n/an/a 121n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419920
PNG
(US10472364, Compound 6 | US10472364, Compound 7)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccccc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H19ClFN5O7/c21-19-25-14(23)12-15(26-19)27(8-24-12)16-11(22)13(28)10(34-16)7-33-20(17(29)30,18(31)32)6-9-4-2-1-3-5-9/h1-5,8,10-11,13,16,28H,6-7H2,(H,29,30)(H,31,32)(H2,23,25,26)/t10-,11+,13-,16-/m1/s1
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n/an/a 130n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419993
PNG
(US10472364, Compound 66)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(O)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H19ClFN5O8/c21-19-25-14(23)12-15(26-19)27(7-24-12)16-11(22)13(29)10(35-16)6-34-20(17(30)31,18(32)33)5-8-1-3-9(28)4-2-8/h1-4,7,10-11,13,16,28-29H,5-6H2,(H,30,31)(H,32,33)(H2,23,25,26)/t10-,11+,13-,16-/m1/s1
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US Patent
n/an/a 133n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419979
PNG
(US10472364, Compound 57)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2F)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF2N5O9/c22-20-27-14(25)12-15(28-20)29(6-26-12)16-11(24)13(30)10(38-16)5-37-21(18(33)34,19(35)36)4-8-2-1-7(17(31)32)3-9(8)23/h1-3,6,10-11,13,16,30H,4-5H2,(H,31,32)(H,33,34)(H,35,36)(H2,25,27,28)/t10-,11+,13-,16-/m1/s1
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n/an/a 142n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419953
PNG
(US10472364, Compound 39)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(CO)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H21ClFN5O8/c22-20-26-15(24)13-16(27-20)28(8-25-13)17-12(23)14(30)11(36-17)7-35-21(18(31)32,19(33)34)5-9-1-3-10(6-29)4-2-9/h1-4,8,11-12,14,17,29-30H,5-7H2,(H,31,32)(H,33,34)(H2,24,26,27)/t11-,12+,14-,17-/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419977
PNG
(US10472364, Compound 56)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(O)c2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H19ClFN5O8/c21-19-25-14(23)12-15(26-19)27(7-24-12)16-11(22)13(29)10(35-16)6-34-20(17(30)31,18(32)33)5-8-2-1-3-9(28)4-8/h1-4,7,10-11,13,16,28-29H,5-6H2,(H,30,31)(H,32,33)(H2,23,25,26)/t10-,11+,13-,16-/m1/s1
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n/an/a 168n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420021
PNG
(US10472364, Compound 92)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(OCC(O)=O)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C22H21ClFN5O10/c23-21-27-16(25)14-17(28-21)29(8-26-14)18-13(24)15(32)11(39-18)6-38-22(19(33)34,20(35)36)5-9-1-3-10(4-2-9)37-7-12(30)31/h1-4,8,11,13,15,18,32H,5-7H2,(H,30,31)(H,33,34)(H,35,36)(H2,25,27,28)/t11-,13+,15-,18-/m1/s1
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n/an/a 172n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50470564
PNG
(CHEMBL4287314)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C11H15ClFN5O8P2/c12-11-16-8(14)6-9(17-11)18(2-15-6)10-5(13)7(19)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4-5,7,10,19H,1,3H2,(H,23,24)(H2,14,16,17)(H2,20,21,22)/t4-,5+,7-,10-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of recombinant CD73 (27 to 549 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conv...


Eur J Med Chem 157: 1051-1055 (2018)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420015
PNG
(US10472364, Compound 85)
Show SMILES COc1ccc(CC(OC[C@H]2O[C@H]([C@@H](F)[C@@H]2O)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1Cl
Show InChI InChI=1S/C21H20Cl2FN5O8/c1-35-10-3-2-8(4-9(10)22)5-21(18(31)32,19(33)34)36-6-11-14(30)12(24)17(37-11)29-7-26-13-15(25)27-20(23)28-16(13)29/h2-4,7,11-12,14,17,30H,5-6H2,1H3,(H,31,32)(H,33,34)(H2,25,27,28)/t11-,12+,14-,17-/m1/s1
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n/an/a 183n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM223080
PNG
((E)-N'-(1-(3-(4-fluorophenyl)-5-phenyl-4,5-dih...)
Show SMILES C\C(=N/NC(=O)c1ccncc1)N1N=C(CC1c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1/C23H20FN5O/c1-16(26-27-23(30)19-11-13-25-14-12-19)29-22(18-5-3-2-4-6-18)15-21(28-29)17-7-9-20(24)10-8-17/h2-14,22H,15H2,1H3,(H,27,30)/b26-16+
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n/an/a 190n/an/an/an/a7.437



Quaid-i-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419935
PNG
(US10472364, Compound 21)
Show SMILES CS(=O)(=O)c1ccc(CC(OC[C@H]2O[C@H]([C@@H](F)[C@@H]2O)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C21H21ClFN5O9S/c1-38(34,35)10-4-2-9(3-5-10)6-21(18(30)31,19(32)33)36-7-11-14(29)12(23)17(37-11)28-8-25-13-15(24)26-20(22)27-16(13)28/h2-5,8,11-12,14,17,29H,6-7H2,1H3,(H,30,31)(H,32,33)(H2,24,26,27)/t11-,12+,14-,17-/m1/s1
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n/an/a 193n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419965
PNG
(US10472364, Compound 32)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(nc2)C(F)(F)F)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H17ClF4N6O7/c21-18-29-13(26)11-14(30-18)31(6-28-11)15-10(22)12(32)8(38-15)5-37-19(16(33)34,17(35)36)3-7-1-2-9(27-4-7)20(23,24)25/h1-2,4,6,8,10,12,15,32H,3,5H2,(H,33,34)(H,35,36)(H2,26,29,30)/t8-,10+,12-,15-/m1/s1
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n/an/a 199n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419938
PNG
(US10472364, Compound 23)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccsc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C18H17ClFN5O7S/c19-17-23-12(21)10-13(24-17)25(6-22-10)14-9(20)11(26)8(32-14)4-31-18(15(27)28,16(29)30)3-7-1-2-33-5-7/h1-2,5-6,8-9,11,14,26H,3-4H2,(H,27,28)(H,29,30)(H2,21,23,24)/t8-,9+,11-,14-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM223079
PNG
((E)-N'-(Pyridin-3'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1cccnc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-6-13-7-4-11)16-15-9-10-2-1-5-14-8-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 210n/an/an/an/a7.437



Quaid-i-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419941
PNG
(US10472364, Compound 27)
Show SMILES Nc1cccc(CC(OC[C@H]2O[C@H]([C@@H](F)[C@@H]2O)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)c1
Show InChI InChI=1S/C20H20ClFN6O7/c21-19-26-14(24)12-15(27-19)28(7-25-12)16-11(22)13(29)10(35-16)6-34-20(17(30)31,18(32)33)5-8-2-1-3-9(23)4-8/h1-4,7,10-11,13,16,29H,5-6,23H2,(H,30,31)(H,32,33)(H2,24,26,27)/t10-,11+,13-,16-/m1/s1
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n/an/a 218n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419973
PNG
(US10472364, Compound 54)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(cc2)-c2nnn[nH]2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1/C21H19ClFN9O7/c22-20-26-14(24)12-16(27-20)32(7-25-12)17-11(23)13(33)10(39-17)6-38-21(18(34)35,19(36)37)5-8-1-3-9(4-2-8)15-28-30-31-29-15/h1-4,7,10-11,13,17,33H,5-6H2,(H,34,35)(H,36,37)(H2,24,26,27)(H,28,29,30,31)/t10-,11+,13-,17-/s2
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n/an/a 220n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM223072
PNG
((E)-N'-(4'-Bromobenzylidene)isonicotinohyd...)
Show SMILES Brc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10BrN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+
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n/an/a 230n/an/an/an/a7.437



Quaid-i-Azam University



Assay Description
The enzymatic assay of both human and rat ecto-5'-nucleotidase were performed with slight modifications in the previously described method. The stock...


Chem Biol Drug Des 89: 365-370 (2017)


Article DOI: 10.1111/cbdd.12861
BindingDB Entry DOI: 10.7270/Q2F47N10
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420018
PNG
(US10472364, Compound 88)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc3oc(cc3c2)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C23H19ClFN5O10/c24-22-28-16(26)14-17(29-22)30(7-27-14)18-13(25)15(31)12(40-18)6-38-23(20(34)35,21(36)37)5-8-1-2-10-9(3-8)4-11(39-10)19(32)33/h1-4,7,12-13,15,18,31H,5-6H2,(H,32,33)(H,34,35)(H,36,37)(H2,26,28,29)/t12-,13+,15-,18-/m1/s1
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n/an/a 238n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50470564
PNG
(CHEMBL4287314)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C11H15ClFN5O8P2/c12-11-16-8(14)6-9(17-11)18(2-15-6)10-5(13)7(19)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4-5,7,10,19H,1,3H2,(H,23,24)(H2,14,16,17)(H2,20,21,22)/t4-,5+,7-,10-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Universit£ Claude Bernard Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of CD73 in human NCI-H292 cells assessed as reduction in conversion of AMP to adenosine incubated for 30 mins by malachite green reagent b...


Eur J Med Chem 157: 1051-1055 (2018)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420004
PNG
(US10472364, Compound 77)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(s2)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C19H17ClFN5O9S/c20-18-24-12(22)10-13(25-18)26(5-23-10)14-9(21)11(27)7(35-14)4-34-19(16(30)31,17(32)33)3-6-1-2-8(36-6)15(28)29/h1-2,5,7,9,11,14,27H,3-4H2,(H,28,29)(H,30,31)(H,32,33)(H2,22,24,25)/t7-,9+,11-,14-/m1/s1
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n/an/a 255n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419929
PNG
(US10472364, Compound 16)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(c2)C(F)(F)F)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF4N5O7/c22-19-29-14(27)12-15(30-19)31(7-28-12)16-11(23)13(32)10(38-16)6-37-20(17(33)34,18(35)36)5-8-2-1-3-9(4-8)21(24,25)26/h1-4,7,10-11,13,16,32H,5-6H2,(H,33,34)(H,35,36)(H2,27,29,30)/t10-,11+,13-,16-/m1/s1
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n/an/a 257n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM222262
PNG
((Z)-4-(2-((E)-4-(3,4-dimethoxyphenyl)-1-morpholino...)
Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1OC
Show InChI InChI=1S/C22H26N4O6S/c1-30-20-10-4-16(15-21(20)31-2)3-9-19(27)22(26-11-13-32-14-12-26)25-24-17-5-7-18(8-6-17)33(23,28)29/h3-10,15,24H,11-14H2,1-2H3,(H2,23,28,29)/b9-3+,25-22-
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n/an/a 260n/an/an/an/a7.437



COMSATS Institute of Information Technology



Assay Description
The ecto-5'-nucleotidase inhibition assay was performed according to our previously reported protocol [Raza et al., Med. Chem., 8:1133-1139]. The com...


Bioorg Chem 70: 229-236 (2017)


Article DOI: 10.1016/j.bioorg.2017.01.003
BindingDB Entry DOI: 10.7270/Q2K07334
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419962
PNG
(US10472364, Compound 44)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(F)c2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H18ClF2N5O7/c21-19-26-14(24)12-15(27-19)28(7-25-12)16-11(23)13(29)10(35-16)6-34-20(17(30)31,18(32)33)5-8-2-1-3-9(22)4-8/h1-4,7,10-11,13,16,29H,5-6H2,(H,30,31)(H,32,33)(H2,24,26,27)/t10-,11+,13-,16-/m1/s1
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n/an/a 273n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50165144
PNG
(CHEMBL3798753)
Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-8-3-4-9-17(15)26-19)11-21-13-6-5-7-14(10-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+
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n/an/a 287n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419928
PNG
(US10472364, Compound 15)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(OC(F)(F)F)c2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C21H18ClF4N5O8/c22-19-29-14(27)12-15(30-19)31(7-28-12)16-11(23)13(32)10(38-16)6-37-20(17(33)34,18(35)36)5-8-2-1-3-9(4-8)39-21(24,25)26/h1-4,7,10-11,13,16,32H,5-6H2,(H,33,34)(H,35,36)(H2,27,29,30)/t10-,11+,13-,16-/m1/s1
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n/an/a 308n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM420020
PNG
(US10472364, Compound 91)
Show SMILES Cc1ccc(CC(OC[C@H]2O[C@H]([C@@H](F)[C@@H]2O)n2cnc3c(N)nc(Cl)nc23)(C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C21H21ClFN5O7/c1-9-2-4-10(5-3-9)6-21(18(30)31,19(32)33)34-7-11-14(29)12(23)17(35-11)28-8-25-13-15(24)26-20(22)27-16(13)28/h2-5,8,11-12,14,17,29H,6-7H2,1H3,(H,30,31)(H,32,33)(H2,24,26,27)/t11-,12+,14-,17-/m1/s1
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n/an/a 322n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419999
PNG
(US10472364, Compound 68)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2csc(n2)C(O)=O)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C18H16ClFN6O9S/c19-17-24-10(21)8-11(25-17)26(4-22-8)13-7(20)9(27)6(35-13)2-34-18(15(30)31,16(32)33)1-5-3-36-12(23-5)14(28)29/h3-4,6-7,9,13,27H,1-2H2,(H,28,29)(H,30,31)(H,32,33)(H2,21,24,25)/t6-,7+,9-,13-/m1/s1
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n/an/a 322n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419963
PNG
(US10472364, Compound 47)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(F)cc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C20H18ClF2N5O7/c21-19-26-14(24)12-15(27-19)28(7-25-12)16-11(23)13(29)10(35-16)6-34-20(17(30)31,18(32)33)5-8-1-3-9(22)4-2-8/h1-4,7,10-11,13,16,29H,5-6H2,(H,30,31)(H,32,33)(H2,24,26,27)/t10-,11+,13-,16-/m1/s1
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n/an/a 343n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419922
PNG
(US10472364, Compound 8)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2ccc(Cl)nc2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C19H17Cl2FN6O7/c20-9-2-1-7(4-24-9)3-19(16(30)31,17(32)33)34-5-8-12(29)10(22)15(35-8)28-6-25-11-13(23)26-18(21)27-14(11)28/h1-2,4,6,8,10,12,15,29H,3,5H2,(H,30,31)(H,32,33)(H2,23,26,27)/t8-,10+,12-,15-/m1/s1
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n/an/a 363n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50165146
PNG
(CHEMBL3798795)
Show SMILES CCCCOC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1/C20H22N2O5S/c1-2-3-11-26-20-17(19(23)16-9-4-5-10-18(16)27-20)13-22-14-7-6-8-15(12-14)28(21,24)25/h4-10,12-13,20,22H,2-3,11H2,1H3,(H2,21,24,25)/b17-13+
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n/an/a 377n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM50165147
PNG
(CHEMBL3797302)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1/C17H16N2O5S/c1-23-17-14(16(20)13-7-2-3-8-15(13)24-17)10-19-11-5-4-6-12(9-11)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b14-10+
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n/an/a 380n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of human Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
5'-nucleotidase


(Homo sapiens (Human))
BDBM419926
PNG
(US10472364, Compound 13)
Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COC(Cc2cccc(Oc3ccccc3)c2)(C(O)=O)C(O)=O)[C@@H](O)[C@@H]1F
Show InChI InChI=1S/C26H23ClFN5O8/c27-25-31-20(29)18-21(32-25)33(12-30-18)22-17(28)19(34)16(41-22)11-39-26(23(35)36,24(37)38)10-13-5-4-8-15(9-13)40-14-6-2-1-3-7-14/h1-9,12,16-17,19,22,34H,10-11H2,(H,35,36)(H,37,38)(H2,29,31,32)/t16-,17+,19-,22-/m1/s1
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n/an/a 403n/an/an/an/an/an/a



Calithera Biosciences, Inc.

US Patent


Assay 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...


US Patent US10472364 (2019)

More data for this
Ligand-Target Pair
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