Found 4880 hits with Last Name = 'boby' and Initial = 'm' 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 |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PDB UniChem
| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50097721
(CHEMBL1879790 | EN300-11843)Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525789
(CHEMBL4469854)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1 Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525789
(CHEMBL4469854)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CC3)s2)s1 Show InChI InChI=1S/C21H23N7O3S2/c29-16(12-13-4-2-1-3-5-13)22-18-25-27-21(33-18)31-15-8-10-28(11-9-15)20-26-24-19(32-20)23-17(30)14-6-7-14/h1-5,14-15H,6-12H2,(H,22,25,29)(H,23,24,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525793
(CHEMBL4436129)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1 Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496478
(LOR-NOR-30067bb9-11)Show InChI InChI=1S/C16H9BrN2O2/c17-13-6-2-5-12-14(13)19(16(21)15(12)20)9-11-4-1-3-10(7-11)8-18/h1-7H,9H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525793
(CHEMBL4436129)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)C3CCC3)s2)s1 Show InChI InChI=1S/C22H25N7O3S2/c30-17(13-14-5-2-1-3-6-14)23-19-26-28-22(34-19)32-16-9-11-29(12-10-16)21-27-25-20(33-21)24-18(31)15-7-4-8-15/h1-3,5-6,15-16H,4,7-13H2,(H,23,26,30)(H,24,25,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627791
(CVD-0019230)Show SMILES CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495599
(CVD-0016335 | STE-KUL-d79e3d6a-3)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl Show InChI InChI=1S/C23H38ClN5O5/c1-7-8-9-10-18(31)27-20(23(4,5)6)22(34)26-16(13-15(2)3)21(33)28-29(19(32)14-24)12-11-17(25)30/h1,15-16,20H,8-14H2,2-6H3,(H2,25,30)(H,26,34)(H,27,31)(H,28,33)/t16-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495599
(CVD-0016335 | STE-KUL-d79e3d6a-3)Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C)C(=O)NN(CCC(N)=O)C(=O)CCl Show InChI InChI=1S/C23H38ClN5O5/c1-7-8-9-10-18(31)27-20(23(4,5)6)22(34)26-16(13-15(2)3)21(33)28-29(19(32)14-24)12-11-17(25)30/h1,15-16,20H,8-14H2,2-6H3,(H2,25,30)(H,26,34)(H,27,31)(H,28,33)/t16-,20-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496258
(CVD-0013146 | JOH-MSK-46727e7b-1)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description The assay was performed according to the published procedure. Briefly, compounds were seeded into assay-ready plates (Greiner 384PP, cat# 781280) usi... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627915
(CVD-0019273)Show SMILES CC1(CS(=O)(=O)N2C[C@@H](C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2)CS(=O)(=O)C1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525797
(CHEMBL4524344)Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525797
(CHEMBL4524344)Show SMILES CC(C)C(=O)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C21H25N7O3S2/c1-13(2)17(30)23-19-24-26-20(32-19)28-10-8-15(9-11-28)31-21-27-25-18(33-21)22-16(29)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,25,29)(H,23,24,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150108
(CHEMBL3770617)Show SMILES O=C(Cc1ccccc1)Nc1nnc(NC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C25H26N8O2S2/c34-20(15-17-7-3-1-4-8-17)27-23-30-29-22(36-23)26-19-11-13-33(14-12-19)25-32-31-24(37-25)28-21(35)16-18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,26,29)(H,27,30,34)(H,28,31,35) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525795
(CHEMBL4459383)Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525795
(CHEMBL4459383)Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Oc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C22H25N7O3S2/c30-17(12-14-4-2-1-3-5-14)24-20-26-28-22(34-20)32-16-8-10-29(11-9-16)21-27-25-19(33-21)23-18(31)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,25,31)(H,24,26,30) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149986
(CHEMBL3770889)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C25H27BrN6O5S/c1-32(2)15-24(34)30-20(13-23(33)31-22-12-9-17(26)14-28-22)25(35)29-18-10-7-16(8-11-18)19-5-3-4-6-21(19)38(27,36)37/h3-12,14,20H,13,15H2,1-2H3,(H,29,35)(H,30,34)(H2,27,36,37)(H,28,31,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149988
(CHEMBL3770945)Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C25H27BrN6O5S/c1-28-12-13-29-25(35)20(14-23(33)32-22-11-10-18(26)15-30-22)31-24(34)17-8-6-16(7-9-17)19-4-2-3-5-21(19)38(27,36)37/h2-11,15,20,28H,12-14H2,1H3,(H,29,35)(H,31,34)(H2,27,36,37)(H,30,32,33) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496258
(CVD-0013146 | JOH-MSK-46727e7b-1)Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15?,16-,17-,20?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150109
(CHEMBL3770355)Show SMILES O=C(Cc1ccccc1)Nc1nnc(N[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C24H24N8O2S2/c33-19(13-16-7-3-1-4-8-16)26-22-29-28-21(35-22)25-18-11-12-32(15-18)24-31-30-23(36-24)27-20(34)14-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,25,28)(H,26,29,33)(H,27,30,34)/t18-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150062
(CHEMBL3769896)Show SMILES O=C(CC1CC1)Nc1nnc(s1)N1CCC(CC1)Nc1nnc(NC(=O)Cc2ccccc2)s1 Show InChI InChI=1S/C22H26N8O2S2/c31-17(12-14-4-2-1-3-5-14)24-20-27-26-19(33-20)23-16-8-10-30(11-9-16)22-29-28-21(34-22)25-18(32)13-15-6-7-15/h1-5,15-16H,6-13H2,(H,23,26)(H,24,27,31)(H,25,28,32) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50150066
(CHEMBL3771319)Show SMILES O=C(Cc1ccccc1)Nc1nnc(s1)N1CCC(CC1)Oc1ccc(NC(=O)Cc2ccccc2)nn1 Show InChI InChI=1S/C27H27N7O3S/c35-23(17-19-7-3-1-4-8-19)28-22-11-12-25(31-30-22)37-21-13-15-34(16-14-21)27-33-32-26(38-27)29-24(36)18-20-9-5-2-6-10-20/h1-12,21H,13-18H2,(H,28,30,35)(H,29,32,36) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149985
(CHEMBL3769701)Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C21H19ClN4O4S/c22-15-7-10-19(24-13-15)26-21(28)12-11-20(27)25-16-8-5-14(6-9-16)17-3-1-2-4-18(17)31(23,29)30/h1-10,13H,11-12H2,(H,25,27)(H2,23,29,30)(H,24,26,28) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495290
(CVD-0018692 | MAT-POS-e194df51-1)Show SMILES Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N Show InChI InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495290
(CVD-0018692 | MAT-POS-e194df51-1)Show SMILES Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)S(=O)(=O)CC1(CC1)C#N Show InChI InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| MCE PC cid PC sid PDB UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525790
(CHEMBL4578823)Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50525790
(CHEMBL4578823)Show SMILES CC(C)(C)C(=O)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C22H27N7O3S2/c1-22(2,3)17(31)24-19-26-28-21(34-19)32-15-9-11-29(12-10-15)20-27-25-18(33-20)23-16(30)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,23,25,30)(H,24,26,31) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged GAC (72 to 603 residues) expressed in Escherichia coli using glutamine as substrate incubated for 10 mins |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126632 BindingDB Entry DOI: 10.7270/Q29W0JX3 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50149984
(CHEMBL3769593)Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1 |r| Show InChI InChI=1S/C26H27BrN6O5S/c27-19-9-10-23(30-16-19)32-24(34)15-21(26(36)33-13-11-29-12-14-33)31-25(35)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,37)38/h1-10,16,21,29H,11-15H2,(H,31,35)(H2,28,37,38)(H,30,32,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh
Curated by ChEMBL
| Assay Description Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate |
Bioorg Med Chem 24: 1819-39 (2016)
Article DOI: 10.1016/j.bmc.2016.03.009 BindingDB Entry DOI: 10.7270/Q2DZ0B5C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627860
(CVD-0018385 | EDJ-MED-be9e6f63-3)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM625991
(EN300-11760) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495803
(CVD-0015332 | MAT-POS-e69ad64a-2)Show SMILES Clc1ccc2OCC(C(=O)N(C(=O)C=C)c3cncc4ccccc34)c2c1 Show InChI InChI=1S/C21H15ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h2-11,17H,1,12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495803
(CVD-0015332 | MAT-POS-e69ad64a-2)Show SMILES Clc1ccc2OCC(C(=O)N(C(=O)C=C)c3cncc4ccccc34)c2c1 Show InChI InChI=1S/C21H15ClN2O3/c1-2-20(25)24(18-11-23-10-13-5-3-4-6-15(13)18)21(26)17-12-27-19-8-7-14(22)9-16(17)19/h2-11,17H,1,12H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM627972
(CVD-0019478)Show SMILES CNC(=O)CN1CC(C(=O)Nc2cncc3cc(NS(C)(=O)=O)ccc23)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495598
(CVD-0016334 | STE-KUL-d79e3d6a-2)Show SMILES COC(=O)\C=C\C(=O)N(CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C Show InChI InChI=1S/C26H41N5O7/c1-8-9-10-11-20(33)29-23(26(4,5)6)25(37)28-18(16-17(2)3)24(36)30-31(15-14-19(27)32)21(34)12-13-22(35)38-7/h1,12-13,17-18,23H,9-11,14-16H2,2-7H3,(H2,27,32)(H,28,37)(H,29,33)(H,30,36)/b13-12+/t18-,23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495598
(CVD-0016334 | STE-KUL-d79e3d6a-2)Show SMILES COC(=O)\C=C\C(=O)N(CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCC#C)C(C)(C)C Show InChI InChI=1S/C26H41N5O7/c1-8-9-10-11-20(33)29-23(26(4,5)6)25(37)28-18(16-17(2)3)24(36)30-31(15-14-19(27)32)21(34)12-13-22(35)38-7/h1,12-13,17-18,23H,9-11,14-16H2,2-7H3,(H2,27,32)(H,28,37)(H,29,33)(H,30,36)/b13-12+/t18-,23-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626189
(EN300-60157) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM495783
(MAT-POS-f9802937-8)Show SMILES Clc1cc2NCC[C@@H](C(=O)Nc3cncc4ccccc34)c2cc1Cl Show InChI InChI=1S/C19H15Cl2N3O/c20-15-7-14-13(5-6-23-17(14)8-16(15)21)19(25)24-18-10-22-9-11-3-1-2-4-12(11)18/h1-4,7-10,13,23H,5-6H2,(H,24,25)/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| | n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Israel Institution of Biological Research
| Assay Description Compounds were seeded into assay-ready plates (Greiner 384 low volume, cat 784900) using an Echo 555 acoustic dispenser, and DMSO was back-filled for... |
bioRxiv 2021: (2021)
BindingDB Entry DOI: 10.7270/Q2MS3WV7 |
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626053
(EN300-17406) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM626102
(EN300-213378)Show SMILES NC12CC3CC(C1)CC(O)(C3)C2 |TLB:4:3:11:5.6.7,4:5:11:2.3.10,THB:7:5:2:11.8.10,7:8:2:4.5.6| | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628026
(CVD-0019470)Show SMILES CCS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628051
(CVD-0019468)Show SMILES CS(=O)(=O)Nc1ccc2c(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc34)S(=O)(=O)CC3(CC3)C#N)cncc2c1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628060
(CVD-0019472)Show SMILES Clc1ccc2CN(CC(C(=O)Nc3cncc4cc(NS(=O)(=O)C5CC5)ccc34)c2c1)S(=O)(=O)CC1(CC1)C#N | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM628063
(CVD-0019426)Show SMILES CNC(=O)CN1C(C)C(C(=O)Nc2cncc3cc(ccc23)S(C)(=O)=O)c2cc(Cl)ccc2C1=O | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |