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BDBM50194175 1-allyl-5'-O-tritylinosine::CHEMBL213891

SMILES: O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC=C)c2=O

InChI Key: InChIKey=WUKAFOPIIOGNJA-QWOIFIOOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194175   
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
Thymidine Phosphorylase (TP)


(Homo sapiens (Human))
BDBM50194175
PNG
(1-allyl-5'-O-tritylinosine | CHEMBL213891)
Show SMILES O[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]([C@@H]1O)n1cnc2c1ncn(CC=C)c2=O
Show InChI InChI=1S/C32H30N4O5/c1-2-18-35-20-34-29-26(30(35)39)33-21-36(29)31-28(38)27(37)25(41-31)19-40-32(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h2-17,20-21,25,27-28,31,37-38H,1,18-19H2/t25-,27-,28-,31-/m1/s1
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MMDB

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Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Instituto de Química Médica (CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human TPase in presence of 100 uM thymidine


J Med Chem 49: 5562-70 (2006)


Article DOI: 10.1021/jm0605379
BindingDB Entry DOI: 10.7270/Q2WD4061
More data for this
Ligand-Target Pair