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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50077622'   
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)		BDBM50077622
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(C)C
Show InChI InChI=1S/C27H53N3O4/c1-10-11-12-13-14-22(31)21(15-17(2)3)28-26(33)25(20(8)9)30-27(34)24(19(6)7)29-23(32)16-18(4)5/h17-22,24-25,31H,10-16H2,1-9H3,(H,28,33)(H,29,32)(H,30,34)/t21-,22?,24-,25-/m0/s1
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KEGG

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 920n/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