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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50028314'   
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)		BDBM50028314
PNG
(CHEMBL325506 | N-(3-{1-Hydroxy-2-[1-(3-methyl-buty...)
Show SMILES CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)NC(C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1
Show InChI InChI=1S/C28H46N4O5/c1-17(2)13-14-29-28(37)20(7)30-23(34)16-24(35)32-26(21-11-9-8-10-12-21)27(36)25(19(5)6)31-22(33)15-18(3)4/h8-12,17-20,24-26,32,35H,13-16H2,1-7H3,(H,29,37)(H,30,34)(H,31,33)/t20-,24-,25+,26?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 0.900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Pepsin inhibition was measured using the synthetic heptapeptide substrate Phe-Gly-His-Phe-(N02)-Phe-Ala- Phe-OMe

J Med Chem 23: 27-33 (1980)


BindingDB Entry DOI: 10.7270/Q24T6HCJ
More data for this
Ligand-Target Pair