Found 6 hits Enz. Inhib. hit(s) with Target = 'Glutamate carboxypeptidase 2' and Ligand = 'BDBM50304738' 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 |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PDB Article PubMed
| 0.580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description Inhibition of antiTEV-tagged GCP2 extracellular portion (aa 44-750) (unknown origin) using folyl-di-L-glutamate as substrate by HPLC-based enzymatic ... |
J Med Chem 58: 4357-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00278 BindingDB Entry DOI: 10.7270/Q2DR2X70 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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| PDB Article PubMed
| 0.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institutions
Curated by ChEMBL
| Assay Description Inhibition of human cloned glutamate carboxypeptidase 2 |
Bioorg Med Chem Lett 20: 392-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.061 BindingDB Entry DOI: 10.7270/Q2SN092X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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| 1.08 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Academy of Sciences of the Czech Republic
Curated by ChEMBL
| Assay Description Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric... |
J Med Chem 54: 7535-46 (2011)
Article DOI: 10.1021/jm200807m BindingDB Entry DOI: 10.7270/Q2VM4CQ2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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| 3.53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Biotechnology of the Czech Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminally tagged human recombinant GCP2 (44 to 750 residues) extracellular domain expressed in Drosophila melanogaster S2 cells prei... |
Bioorg Med Chem 27: 255-264 (2019)
Article DOI: 10.1016/j.bmc.2018.11.022 BindingDB Entry DOI: 10.7270/Q2F47SC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glutamate carboxypeptidase 2
(Homo sapiens (Human)) | BDBM50304738
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/m0/s1 | PDB MMDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128840 BindingDB Entry DOI: 10.7270/Q2DR30GB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |