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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50022511'   
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)		BDBM50022511
PNG
(Boc-Trp-His-Sta-Ala-Sta-OMe | CHEMBL3349392)
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](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C42H64N8O10/c1-23(2)14-30(34(51)18-36(53)46-25(5)38(55)47-31(15-24(3)4)35(52)19-37(54)59-9)48-40(57)33(17-27-21-43-22-45-27)49-39(56)32(50-41(58)60-42(6,7)8)16-26-20-44-29-13-11-10-12-28(26)29/h10-13,20-25,30-35,44,51-52H,14-19H2,1-9H3,(H,43,45)(H,46,53)(H,47,55)(H,48,57)(H,49,56)(H,50,58)/t25-,30?,31?,32-,33-,34?,35?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 850n/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