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BDBM50341599 (S)-2-((S)-2-amino-3-(2,5,7-tri-tert-butyl-1H-indol-3-yl)propanamido)-5-guanidinopentanamide::(S)-2-[2-Amino-3-((S)-2,5,7-tri-tert-butyl-1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid amide::CHEMBL365705::TbtR-NH2

SMILES: CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(C)(C)C)C(C)(C)C

InChI Key: InChIKey=UVDFAMGJNCXXNC-SFTDATJTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50341599   
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
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50341599
PNG
((S)-2-((S)-2-amino-3-(2,5,7-tri-tert-butyl-1H-indo...)
Show SMILES CC(C)(C)c1[nH]c2c(cc(cc2c1C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C(C)(C)C)C(C)(C)C |r|
Show InChI InChI=1S/C29H49N7O2/c1-27(2,3)16-13-17-18(23(29(7,8)9)36-22(17)19(14-16)28(4,5)6)15-20(30)25(38)35-21(24(31)37)11-10-12-34-26(32)33/h13-14,20-21,36H,10-12,15,30H2,1-9H3,(H2,31,37)(H,35,38)(H4,32,33,34)/t20-,21-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+5n/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of human PEPT1 expressed in Xenopus laevis oocytes assessed as inhibition of glycylsarcosine-induced transport-associated current at -60 m...


J Med Chem 54: 2422-32 (2011)


Article DOI: 10.1021/jm1015704
BindingDB Entry DOI: 10.7270/Q2T153Z3
More data for this
Ligand-Target Pair