BDBM50298759 (5S,8S,11S,14S,17R)-11-(4-aminobutyl)-5,8-bis(hydroxymethyl)-14-isobutyl-19-methyl-3,6,9,12,15-pentaoxo-1-phenyl-2-oxa-4,7,10,13,16-pentaazaicosan-17-ylboronic acid::CHEMBL582947
SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)B(O)O
InChI Key: InChIKey=RGXBROOXIQZKAP-LROMGURASA-N
Data: 2 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)) | BDBM50298759 ((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 | 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Napoli Federico II Curated by ChEMBL | Assay Description Inhibition of human KLK3 using Mu-SRKSQQY-AMC as substrate by fluorometric analysis | J Med Chem 55: 6669-86 (2012) Article DOI: 10.1021/jm300407t BindingDB Entry DOI: 10.7270/Q2N017N9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prostate specific antigen (Homo sapiens (Human)) | BDBM50298759 ((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 | 65 | 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 |