Found 14 hits Enz. Inhib. hit(s) with Target = 'Asparagine synthetase' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(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+] |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(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+] |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(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+] |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392270
(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+] |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50392271
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2012.07.047 BindingDB Entry DOI: 10.7270/Q2MC914M |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2009.07.071 BindingDB Entry DOI: 10.7270/Q2JS9RDD |
More data for this Ligand-Target Pair | |
Asparagine synthetase [glutamine-hydrolyzing]
(Homo sapiens (Human)) | BDBM50378579
(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 |r| 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 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC sid UniChem
Similars
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2009.07.071 BindingDB Entry DOI: 10.7270/Q2JS9RDD |
More data for this Ligand-Target Pair | |