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BDBM50077626 CHEMBL294529::N-{(S)-1-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-3,3-dimethyl-butyramide

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

InChI Key: InChIKey=NDGGHPBDTFRDOS-QVIGFXSOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50077626   
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)		BDBM50077626
PNG
(CHEMBL294529 | N-{(S)-1-[(S)-1-((S)-2-Hydroxy-1-is...)
Show SMILES CCCCCCC(O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C28H55N3O4/c1-11-12-13-14-15-22(32)21(16-18(2)3)29-26(34)25(20(6)7)31-27(35)24(19(4)5)30-23(33)17-28(8,9)10/h18-22,24-25,32H,11-17H2,1-10H3,(H,29,34)(H,30,33)(H,31,35)/t21-,22?,24-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.10E+3n/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