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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pepsin A' and Ligand = 'BDBM50011706'   
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)
BDBM50011706
PNG
(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Show SMILES CCCCN1C(=O)[C@@H](CC1(C)C)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C39H60N6O6/c1-7-8-19-45-36(49)29(23-39(45,5)6)33(46)30(20-26-15-11-9-12-16-26)42-35(48)32(22-28-24-40-25-41-28)43-34(47)31(21-27-17-13-10-14-18-27)44-37(50)51-38(2,3)4/h10,13-14,17-18,24-26,29-33,46H,7-9,11-12,15-16,19-23H2,1-6H3,(H,40,41)(H,42,48)(H,43,47)(H,44,50)/t29-,30-,31-,32-,33-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against Pepsin


J Med Chem 34: 887-900 (1991)


Article DOI: 10.1021/jm00107a004
BindingDB Entry DOI: 10.7270/Q2MK6DGK
More data for this
Ligand-Target Pair