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BDBM50194176 5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazole-4-(N-propyl)carboxamide::CHEMBL386443

SMILES: CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N

InChI Key: InChIKey=WDTCPECKAJIGNI-BQOYKFDPSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194176   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine Phosphorylase (TP)


(Homo sapiens (Human))
BDBM50194176
PNG
(5-amino-1-(5-O-trityl-beta-D-ribofuranosyl)imidazo...)
Show SMILES CCCNC(=O)c1ncn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O)c1N
Show InChI InChI=1S/C31H34N4O5/c1-2-18-33-29(38)25-28(32)35(20-34-25)30-27(37)26(36)24(40-30)19-39-31(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24,26-27,30,36-37H,2,18-19,32H2,1H3,(H,33,38)/t24-,26-,27-,30-/m1/s1
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Similars

Article
PubMed
n/an/a 1.30E+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