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Compile Data Set for Download or QSAR

Found 14 hits of ki data for polymerid = 50001649   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+]
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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8n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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24n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+]
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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33n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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280n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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310n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as overall inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+]
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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450n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392270
PNG
(CHEMBL2153507)
Show SMILES CS(=O)(NP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CC[NH3+]
Show InChI InChI=1S/C13H22N7O7PS/c1-29(25,3-2-14)19-28(23,24)26-4-7-9(21)10(22)13(27-7)20-6-18-8-11(15)16-5-17-12(8)20/h3,5-7,9-10,13,21-22H,2,4,14H2,1H3,(H2,15,16,17)(H2,19,23,24,25)/t7-,9-,10-,13-,29?/m1/s1
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490n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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840n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as overall inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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3.04E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as assessed as initial inhibition constant for ammonia dependent production of i...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50392271
PNG
(CHEMBL2153508)
Show SMILES CS(=O)(NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)=CCC(O)=O
Show InChI InChI=1S/C14H21N6O9PS/c1-31(27,3-2-8(21)22)19-30(25,26)28-4-7-10(23)11(24)14(29-7)20-6-18-9-12(15)16-5-17-13(9)20/h3,5-7,10-11,14,23-24H,2,4H2,1H3,(H,21,22)(H2,15,16,17)(H2,19,25,26,27)/t7-,10-,11-,14-,31?/m1/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 cells assessed as initial inhibition constant for glutamine dependent production of inorganic p...


Bioorg Med Chem 20: 5915-27 (2012)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 insect cells assessed as overall inhibition constant


Bioorg Med Chem 17: 6641-50 (2009)

More data for this
Ligand-Target Pair
Asparagine synthetase


(Homo sapiens)
BDBM50378579
PNG
(CHEMBL1627258)
Show SMILES CS(=O)(CC(=N)C(O)=O)NP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C14H22N7O9PS/c1-32(28,3-6(15)14(24)25)20-31(26,27)29-2-7-9(22)10(23)13(30-7)21-5-19-8-11(16)17-4-18-12(8)21/h4-5,7,9-10,13,15,22-23,32H,2-3H2,1H3,(H,24,25)(H2,16,17,18)(H2,20,26,27,28)/t7-,9-,10-,13-/m1/s1
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2.00E+4n/an/an/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ASNS expressed in Sf9 insect cells


Bioorg Med Chem 17: 6641-50 (2009)

More data for this
Ligand-Target Pair