BDBM50304751 (S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iodobenzamido)hexanoic acid::CHEMBL594123::N~2~-{[(1S)-1-carboxybut-3-en-1-yl]carbamoyl}-N~6~-[(4-iodophenyl)carbonyl]-L-lysine
SMILES: OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O
InChI Key: InChIKey=CPITYBQMVPBERS-GJZGRUSLSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer.
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50304751 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)) | BDBM50304751
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 11 | 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)) | BDBM50304751
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 11 | 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) |