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Compile Data Set for Download or QSAR

Found 150 hits Enz. Inhib. hit(s) with Target = 'NT'   
Target
(Institution)
LigandTarget
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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437933
PNG
(CHEMBL2408703)
Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-9-10-17-14(11-13)19(23)15(20(27-17)26-4-2)12-22-16-7-5-6-8-18(16)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)
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n/an/a 101n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223077
PNG
((E)-N'-(4'-Hydroxy-3-methoxybenzylidene)is...)
Show SMILES COc1cc(\C=N\NC(=O)c2ccncc2)ccc1O
Show InChI InChI=1S/C14H13N3O3/c1-20-13-8-10(2-3-12(13)18)9-16-17-14(19)11-4-6-15-7-5-11/h2-9,18H,1H3,(H,17,19)/b16-9+
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n/an/a 140n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223076
PNG
((E)-N'-(3'-Nitrobenzylidene)isonicotinohyd...)
Show SMILES [O-][N+](=O)c1cccc(\C=N\NC(=O)c2ccncc2)c1
Show InChI InChI=1S/C13H10N4O3/c18-13(11-4-6-14-7-5-11)16-15-9-10-2-1-3-12(8-10)17(19)20/h1-9H,(H,16,18)/b15-9+
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n/an/a 210n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223074
PNG
((E)-N'-(4'-Methoxybenzylidene)isonicotinoh...)
Show SMILES COc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C14H13N3O2/c1-19-13-4-2-11(3-5-13)10-16-17-14(18)12-6-8-15-9-7-12/h2-10H,1H3,(H,17,18)/b16-10+
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n/an/a 310n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM222261
PNG
((Z)-4-(2-((E)-4-(4-methoxyphenyl)-1-morpholino-2-o...)
Show SMILES COc1ccc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc1
Show InChI InChI=1S/C21H24N4O5S/c1-29-18-7-2-16(3-8-18)4-11-20(26)21(25-12-14-30-15-13-25)24-23-17-5-9-19(10-6-17)31(22,27)28/h2-11,23H,12-15H2,1H3,(H2,22,27,28)/b11-4+,24-21-
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n/an/a 330n/an/an/an/an/an/a



COMSATS Institute of Information Technology



Assay Description
Alkaline phosphatase assay was optimized and performed in the same way as previously reported method with slight modifications [Sergienko et al., Nat...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 360n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223073
PNG
((E)-N'-(4'-Fluorobenzylidene)isonicotinohy...)
Show SMILES Fc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10FN3O/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 440n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223075
PNG
((E)-N'-(2'-hydroxybenzylidene)isonicotinoh...)
Show SMILES Oc1ccccc1\C=N\NC(=O)c1ccncc1
Show InChI InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
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n/an/a 450n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165143
PNG
(CHEMBL3798555)
Show SMILES CC(C)OC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C19H20N2O5S/c1-12(2)25-19-16(18(22)15-5-3-4-6-17(15)26-19)11-21-13-7-9-14(10-8-13)27(20,23)24/h3-12,19,21H,1-2H3,(H2,20,23,24)/b16-11+
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n/an/a 540n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437939
PNG
(CHEMBL1814399)
Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-14(9-22-11-4-3-5-12(8-11)28(21,24)25)16(23)13-6-10(19)7-15(20)17(13)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)
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n/an/a 583n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM222263
PNG
((Z)-4-(2-((E)-1-morpholino-2-oxo-4-(3,4,5-Trimetho...)
Show SMILES COc1cc(\C=C\C(=O)C(=N\Nc2ccc(cc2)S(N)(=O)=O)\N2CCOCC2)cc(OC)c1OC
Show InChI InChI=1S/C23H28N4O7S/c1-31-20-14-16(15-21(32-2)22(20)33-3)4-9-19(28)23(27-10-12-34-13-11-27)26-25-17-5-7-18(8-6-17)35(24,29)30/h4-9,14-15,25H,10-13H2,1-3H3,(H2,24,29,30)/b9-4+,26-23-
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n/an/a 680n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437941
PNG
(CHEMBL1814397)
Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)
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n/an/a 990n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223071
PNG
((E)-N'-(4'-Chlorobenzylidene)isonicotinohy...)
Show SMILES Clc1ccc(\C=N\NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C13H10ClN3O/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 1.08E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165126
PNG
(CHEMBL3797319)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccc(OC)nn1
Show InChI InChI=1/C23H22N4O6S/c1-3-32-23-18(22(28)17-6-4-5-7-19(17)33-23)14-24-15-8-10-16(11-9-15)34(29,30)27-20-12-13-21(31-2)26-25-20/h4-14,23-24H,3H2,1-2H3,(H,25,27)/b18-14+
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n/an/a 1.09E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165150
PNG
(CHEMBL3799027)
Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C18H25NO2/c1-11-5-6-13(9-12(11)2)15-10-14-7-8-16(19(14)3)17(15)18(20)21-4/h5-6,9,14-17H,7-8,10H2,1-4H3
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n/an/a 1.31E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165148
PNG
(CHEMBL3797640)
Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C17H15ClN2O5S/c1-24-17-14(16(21)13-8-10(18)2-7-15(13)25-17)9-20-11-3-5-12(6-4-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+
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n/an/a 1.71E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165137
PNG
(CHEMBL3800324)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1/C17H14Cl2N2O5S/c1-25-17-11(8-21-13-4-2-3-5-14(13)27(20,23)24)15(22)10-6-9(18)7-12(19)16(10)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b11-8+
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n/an/a 1.84E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395084
PNG
(CHEMBL2164286)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)cc1
Show InChI InChI=1S/C16H11ClN2O5S/c17-10-1-6-14-9(7-10)8-13(16(21)24-14)15(20)19-11-2-4-12(5-3-11)25(18,22)23/h1-8H,(H,19,20)(H2,18,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437946
PNG
(CHEMBL1814392)
Show SMILES CCOC1Oc2ccc(F)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17FN2O5S/c1-2-25-18-15(17(22)14-9-11(19)3-8-16(14)26-18)10-21-12-4-6-13(7-5-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165149
PNG
(CHEMBL3799691)
Show SMILES COC1Oc2ccc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1/C17H15ClN2O5S/c1-24-17-14(16(21)13-7-10(18)5-6-15(13)25-17)9-20-11-3-2-4-12(8-11)26(19,22)23/h2-9,17,20H,1H3,(H2,19,22,23)/b14-9+
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n/an/a 2.38E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165129
PNG
(CHEMBL3799469)
Show SMILES COC1Oc2ccccc2C(=O)\C1=C/Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1/C17H16N2O5S/c1-23-17-12(16(20)11-6-2-4-8-14(11)24-17)10-19-13-7-3-5-9-15(13)25(18,21)22/h2-10,17,19H,1H3,(H2,18,21,22)/b12-10+
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n/an/a 2.39E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437936
PNG
(CHEMBL2408700)
Show SMILES Fc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
Show InChI InChI=1S/C16H11FN2O4S/c17-9-5-6-13-10(7-9)15(20)11(8-23-13)16-18-12-3-1-2-4-14(12)24(21,22)19-16/h1-8,16,18-19H
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n/an/a 2.71E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 2.81E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM222259
PNG
((Z)-4-(2-((E)-4-(2,4-dichlorophenyl)-1-morpholino-...)
Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C20H20Cl2N4O4S/c21-15-3-1-14(18(22)13-15)2-8-19(27)20(26-9-11-30-12-10-26)25-24-16-4-6-17(7-5-16)31(23,28)29/h1-8,13,24H,9-12H2,(H2,23,28,29)/b8-2+,25-20-
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n/an/a 2.85E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM223078
PNG
((E)-N'-(Pyridin-4'-ylmethylene)isonicotino...)
Show SMILES O=C(N\N=C\c1ccncc1)c1ccncc1
Show InChI InChI=1S/C12H10N4O/c17-12(11-3-7-14-8-4-11)16-15-9-10-1-5-13-6-2-10/h1-9H,(H,16,17)/b15-9+
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n/an/a 2.89E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 3.01E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 3.61E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437943
PNG
(CHEMBL1814395)
Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-5-10-18-16(11-13)19(23)17(20(27-18)26-4-2)12-22-14-6-8-15(9-7-14)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)
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n/an/a 3.73E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437937
PNG
(CHEMBL2408699)
Show SMILES O=c1c(coc2ccccc12)C1Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C16H12N2O4S/c19-15-10-5-1-3-7-13(10)22-9-11(15)16-17-12-6-2-4-8-14(12)23(20,21)18-16/h1-9,16-18H
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n/an/a 3.81E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395090
PNG
(CHEMBL2164288)
Show SMILES NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2cccc(Oc3ccccc3)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C19H15N4O5S/c20-29(26,27)17-9-10-18(19(12-17)23(24)25)22-21-13-14-5-4-8-16(11-14)28-15-6-2-1-3-7-15/h1-13H,(H2,20,26,27)/q-1/p+1/b22-21+
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n/an/a 3.99E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165136
PNG
(CHEMBL3800429)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-3-2-4-11(7-10)27(20,23)24)15(22)12-5-9(18)6-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
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n/an/a 4.81E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437940
PNG
(CHEMBL1814398)
Show SMILES CCOC1Oc2ccc(Br)cc2C(=O)C1=CNc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17BrN2O5S/c1-2-25-18-15(17(22)14-8-11(19)6-7-16(14)26-18)10-21-12-4-3-5-13(9-12)27(20,23)24/h3-10,18,21H,2H2,1H3,(H2,20,23,24)
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n/an/a 6.13E+3n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM222258
PNG
((Z)-4-(2-((E)-4-(2-chlorophenyl)-1-morpholino-2-ox...)
Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H21ClN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-
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n/an/a 6.43E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395091
PNG
(CHEMBL2164289)
Show SMILES NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2c(O)ccc3ccccc23)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H13N4O5S/c18-27(25,26)12-6-7-15(16(9-12)21(23)24)20-19-10-14-13-4-2-1-3-11(13)5-8-17(14)22/h1-10,22H,(H2,18,25,26)/q-1/p+1/b20-19+
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n/an/a 6.54E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395095
PNG
(CHEMBL2164294)
Show SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)c1ccccc1
Show InChI InChI=1S/C28H22N4O4S3/c33-25(19-7-3-1-4-8-19)31-27(37)29-21-11-15-23(16-12-21)39(35,36)24-17-13-22(14-18-24)30-28(38)32-26(34)20-9-5-2-6-10-20/h1-18H,(H2,29,31,33,37)(H2,30,32,34,38)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 7.13E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
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 7.41E+3n/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395092
PNG
(CHEMBL2164290)
Show SMILES NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2ccc(O)cc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N4O5S/c14-23(21,22)11-5-6-12(13(7-11)17(19)20)16-15-8-9-1-3-10(18)4-2-9/h1-8,18H,(H2,14,21,22)/q-1/p+1/b16-15+
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n/an/a 8.03E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395094
PNG
(CHEMBL2164291)
Show SMILES NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2ccccc2O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N4O5S/c14-23(21,22)10-5-6-11(12(7-10)17(19)20)16-15-8-9-3-1-2-4-13(9)18/h1-8,18H,(H2,14,21,22)/q-1/p+1/b16-15+
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n/an/a 9.46E+3n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165133
PNG
(CHEMBL3798620)
Show SMILES COC1Oc2c(Cl)cc(Cl)cc2C(=O)\C1=C/Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1/C17H14Cl2N2O5S/c1-25-17-13(8-21-10-2-4-11(5-3-10)27(20,23)24)15(22)12-6-9(18)7-14(19)16(12)26-17/h2-8,17,21H,1H3,(H2,20,23,24)/b13-8+
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n/an/a 1.01E+4n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50443532
PNG
(CHEMBL3087995)
Show SMILES Nc1ccc2cc(cc(O)c2c1)S(O)(=O)=O
Show InChI InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)
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n/an/a 1.04E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubat...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50165125
PNG
(CHEMBL3797206)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C/Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
Show InChI InChI=1/C23H21N3O5S/c1-2-30-23-19(22(27)18-7-3-4-8-20(18)31-23)15-25-16-10-12-17(13-11-16)32(28,29)26-21-9-5-6-14-24-21/h3-15,23,25H,2H2,1H3,(H,24,26)/b19-15+
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n/an/a 1.52E+4n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395088
PNG
(CHEMBL2164285)
Show SMILES NS(=O)(=O)c1cc(Cl)c(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2N3O5S/c17-9-5-7(27(19,25)26)6-10(18)13(9)21-16(24)12-14(22)8-3-1-2-4-11(8)20-15(12)23/h1-6H,(H,21,24)(H2,19,25,26)(H2,20,22,23)
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n/an/a 1.55E+4n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395087
PNG
(CHEMBL2164284)
Show SMILES COc1cccc2cc(C(=O)Nc3ccc(cc3)S(N)(=O)=O)c(=O)oc12
Show InChI InChI=1S/C17H14N2O6S/c1-24-14-4-2-3-10-9-13(17(21)25-15(10)14)16(20)19-11-5-7-12(8-6-11)26(18,22)23/h2-9H,1H3,(H,19,20)(H2,18,22,23)
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n/an/a 1.66E+4n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50395096
PNG
(CHEMBL2164293)
Show SMILES NS(=O)(=O)c1ccc(\[NH+]=N\[CH-]c2cccc(O)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H11N4O5S/c14-23(21,22)11-4-5-12(13(7-11)17(19)20)16-15-8-9-2-1-3-10(18)6-9/h1-8,18H,(H2,14,21,22)/q-1/p+1/b16-15+
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n/an/a 1.84E+4n/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase using [3H]AMP substrate


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50443527
PNG
(CHEMBL1339340)
Show SMILES Cc1ccc2nc(sc2c1S(O)(=O)=O)-c1ccc(N)cc1
Show InChI InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)
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n/an/a 1.86E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubat...


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More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM222266
PNG
((Z)-4-(2-((E)-4-(2-bromophenyl)-1-morpholino-2-oxo...)
Show SMILES NS(=O)(=O)c1ccc(N\N=C(/N2CCOCC2)C(=O)\C=C\c2ccccc2Br)cc1
Show InChI InChI=1S/C20H21BrN4O4S/c21-18-4-2-1-3-15(18)5-10-19(26)20(25-11-13-29-14-12-25)24-23-16-6-8-17(9-7-16)30(22,27)28/h1-10,23H,11-14H2,(H2,22,27,28)/b10-5+,24-20-
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n/an/a 2.24E+4n/an/an/an/an/an/a



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...


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More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50443529
PNG
(CHEMBL3087999)
Show SMILES Nc1c(O)cc(c2cc(ccc12)[N+]([O-])=O)S(O)(=O)=O
Show InChI InChI=1S/C10H8N2O6S/c11-10-6-2-1-5(12(14)15)3-7(6)9(4-8(10)13)19(16,17)18/h1-4,13H,11H2,(H,16,17,18)
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n/an/a 3.16E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubat...


Citation and Details
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437934
PNG
(CHEMBL2408702)
Show SMILES CCOC1Oc2c(Br)cc(Br)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C18H16Br2N2O5S/c1-2-26-18-12(9-22-14-5-3-4-6-15(14)28(21,24)25)16(23)11-7-10(19)8-13(20)17(11)27-18/h3-9,18,22H,2H2,1H3,(H2,21,24,25)
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n/an/a 4.01E+4n/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat 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)

More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50443528
PNG
(CHEMBL3088000)
Show SMILES Cc1cc(=O)n([nH]1)-c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C10H10N2O4S/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16/h2-6,11H,1H3,(H,14,15,16)
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n/an/a 4.43E+4n/an/an/an/an/an/a



COMSATS Institute of Information Technology

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubat...


Citation and Details
More data for this
Ligand-Target Pair
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