BDBM50298757 (5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydroxymethyl)-14-isobutyl-4,10,19-trimethyl-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaicosan-17-ylboronic acid::CHEMBL574669
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)N(C)C(=O)[C@H](CO)NC(=O)[C@H](CO)N(C)C(=O)OCc1ccccc1)B(O)O
InChI Key: InChIKey=BQRWXVVQKXTLFG-XLIKFSOKSA-N
Data: 1 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prostate specific antigen (Homo sapiens (Human)) | BDBM50298757 ((5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydr...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine Curated by ChEMBL | Assay Description Inhibition of prostate-specific antigen assessed as substrate hydrolysis by fluorescence assay | Bioorg Med Chem 17: 4888-93 (2009) Article DOI: 10.1016/j.bmc.2009.06.012 BindingDB Entry DOI: 10.7270/Q2T43T49 | |||||||||||
More data for this Ligand-Target Pair |