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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50022509'   
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)		BDBM50022509
PNG
(Boc-Phe-Phe-Sta-Ala-Sta-OMe | CHEMBL3349390)
Show SMILES COC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C43H65N5O10/c1-26(2)20-31(35(49)24-37(51)44-28(5)39(53)45-32(21-27(3)4)36(50)25-38(52)57-9)46-40(54)33(22-29-16-12-10-13-17-29)47-41(55)34(23-30-18-14-11-15-19-30)48-42(56)58-43(6,7)8/h10-19,26-28,31-36,49-50H,20-25H2,1-9H3,(H,44,51)(H,45,53)(H,46,54)(H,47,55)(H,48,56)/t28-,31?,32?,33-,34-,35?,36?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 14n/an/an/an/a2.0n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 2.0

J Med Chem 31: 625-9 (1988)


BindingDB Entry DOI: 10.7270/Q2B85742
More data for this
Ligand-Target Pair