BDBM50304731 (S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido)-6-(4-iodobenzamido)hexanoic acid::CHEMBL604257
SMILES: OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccco1)C(O)=O
InChI Key: InChIKey=XDHPABCLBICMJM-IRXDYDNUSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glutamate carboxypeptidase II (Homo sapiens (Human)) | BDBM50304731 ((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare Curated by ChEMBL | Assay Description Binding affinity to NAALADase | J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Glutamate carboxypeptidase II (Homo sapiens (Human)) | BDBM50304731 ((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 5.30 | 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) |