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BDBM50298724 CHEMBL574885::benzyl(2S,5S,8S,11R,14S)-8-(4-aminobutyl)-11-(tert-butylthiomethyl)-14-formyl-1-hydroxy-5-(hydroxymethyl)-16-methyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-2-ylcarbamate

SMILES: CC(C)C[C@H](NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=KVCGSODJLXBJDZ-HLRLJLPZNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298724   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Prostate specific antigen


(Homo sapiens (Human))
BDBM50298724
PNG
(CHEMBL574885 | benzyl(2S,5S,8S,11R,14S)-8-(4-amino...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1/C33H54N6O9S/c1-21(2)15-23(16-40)35-31(46)27(20-49-33(3,4)5)38-28(43)24(13-9-10-14-34)36-29(44)25(17-41)37-30(45)26(18-42)39-32(47)48-19-22-11-7-6-8-12-22/h6-8,11-12,16,21,23-27,41-42H,9-10,13-15,17-20,34H2,1-5H3,(H,35,46)(H,36,44)(H,37,45)(H,38,43)(H,39,47)/t23-,24-,25-,26-,27-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>50n/an/an/an/an/an/an/an/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