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BDBM50077620 CHEMBL62319::{(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid benzyl ester

SMILES: CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C

InChI Key: InChIKey=WXXYDNBBYJAJES-MBKURTIGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077620   
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
Pepsin A


(Porcine)		BDBM50077620
PNG
(CHEMBL62319 | {(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobu...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C
Show InChI InChI=1S/C30H51N3O5/c1-8-9-10-14-17-25(34)24(18-20(2)3)31-28(35)26(21(4)5)32-29(36)27(22(6)7)33-30(37)38-19-23-15-12-11-13-16-23/h11-13,15-16,20-22,24-27,34H,8-10,14,17-19H2,1-7H3,(H,31,35)(H,32,36)(H,33,37)/t24-,25?,26-,27-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 690n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry and Institute of Pharmaceutical Technology

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory effect towards the pepsin hydrolysis of Horseradish peroxidase

J Med Chem 42: 2041-5 (1999)


Article DOI: 10.1021/jm9807306
BindingDB Entry DOI: 10.7270/Q21N809J
More data for this
Ligand-Target Pair