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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50077625'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pepsin A


(Porcine)		BDBM50077625
PNG
((S)-N-[(S)-1-((S)-2-Hydroxy-1-isobutyl-octylcarbam...)
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
Show InChI InChI=1S/C25H49N3O4/c1-9-11-12-13-14-20(29)19(15-16(3)4)26-24(31)23(18(7)8)28-25(32)22(17(5)6)27-21(30)10-2/h16-20,22-23,29H,9-15H2,1-8H3,(H,26,31)(H,27,30)(H,28,32)/t19-,20?,22-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.20E+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