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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50022517'   
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)		BDBM50022517
PNG
(CHEMBL3349397 | POA-Leu-Sta-Leu-PheOMe)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)COC(=O)C(C)(C)C
Show InChI InChI=1S/C37H60N4O9/c1-22(2)16-26(40-33(45)28(18-24(5)6)39-32(44)21-50-36(48)37(7,8)9)30(42)20-31(43)38-27(17-23(3)4)34(46)41-29(35(47)49-10)19-25-14-12-11-13-15-25/h11-15,22-24,26-30,42H,16-21H2,1-10H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)/t26?,27-,28-,29-,30?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 12n/an/an/an/an/an/a4.0n/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Inhibition of porcine pepsin at pH 4.0

J Med Chem 31: 625-9 (1988)


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