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BDBM50420183 CHEMBL1823468

SMILES: CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O

InChI Key: InChIKey=WWWIPRXKEMOAPE-VIFPVBQESA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50420183   
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))
BDBM50420183
PNG
(CHEMBL1823468)
Show SMILES CN(CC([O-])=O)C(=O)[C@@H]([NH3+])CCC(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O |r|
Show InChI InChI=1S/C16H23N7O7/c1-22(6-10(24)25)15(28)9(17)2-3-11(26)30-5-4-29-8-23-7-19-12-13(23)20-16(18)21-14(12)27/h7,9H,2-6,8,17H2,1H3,(H,24,25)(H3,18,20,21,27)/t9-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80E+5n/an/an/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cells


J Control Release 86: 279-92 (2003)


BindingDB Entry DOI: 10.7270/Q27H1KVK
More data for this
Ligand-Target Pair