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BDBM50064911 CHEMBL75352::{1-[1-((S)-2-Hydroxy-1-propyl-decylcarbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-carbamic acid tert-butyl ester

SMILES: CCCCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C

InChI Key: InChIKey=YVIIRSKNNANXSZ-FYVJUVMJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50064911   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Pepsinogen A5


(Homo sapiens (Human))		BDBM50064911
PNG
(CHEMBL75352 | {1-[1-((S)-2-Hydroxy-1-propyl-decylc...)
Show SMILES CCCCCCCCC(O)[C@H](CCC)NC(=O)C(NC(=O)C(NC(=O)OC(C)(C)C)C(C)C)C(C)C
Show InChI InChI=1S/C28H55N3O5/c1-10-12-13-14-15-16-18-22(32)21(17-11-2)29-25(33)23(19(3)4)30-26(34)24(20(5)6)31-27(35)36-28(7,8)9/h19-24,32H,10-18H2,1-9H3,(H,29,33)(H,30,34)(H,31,35)/t21-,22?,23?,24?/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against pepsin as oxidation of o-phenylenediamine by Horse radish peroxidase (Pepsin sensitive)

J Med Chem 41: 2339-44 (1998)


Article DOI: 10.1021/jm980015w
BindingDB Entry DOI: 10.7270/Q2PC332W
More data for this
Ligand-Target Pair