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BDBM50298733 CHEMBL574759::benzyl(S)-1-((S)-1-((S)-6-amino-1-((S)-2-((S)-4-methyl-1-oxopentan-2-ylcarbamoyl)pyrrolidin-1-yl)-1-oxohexan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylamino)-3-hydroxy-1-oxopropan-2-ylcarbamate

SMILES: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O

InChI Key: InChIKey=WESHKWWFKGVBRE-MWKVOXQTNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50298733   
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))
BDBM50298733
PNG
(CHEMBL574759 | benzyl(S)-1-((S)-1-((S)-6-amino-1-(...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1)C=O
Show InChI InChI=1/C31H48N6O9/c1-20(2)15-22(16-38)33-29(43)26-12-8-14-37(26)30(44)23(11-6-7-13-32)34-27(41)24(17-39)35-28(42)25(18-40)36-31(45)46-19-21-9-4-3-5-10-21/h3-5,9-10,16,20,22-26,39-40H,6-8,11-15,17-19,32H2,1-2H3,(H,33,43)(H,34,41)(H,35,42)(H,36,45)/t22-,23-,24-,25-,26-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>500n/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