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SMILES: OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O

InChI Key: InChIKey=FXZULIFCFHYXFH-YUMQZZPRSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50081806   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50081806
PNG
(CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...)
Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 37n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in Cellulomonas sp


Bioorg Med Chem Lett 9: 2833-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JQ107B
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50081806
PNG
(CHEMBL94920 | {1,1-Difluoro-2-[(3R,4S)-4-(6-oxo-1,...)
Show SMILES OP(O)(=O)C(F)(F)C[C@H]1COC[C@@H]1Cn1cnc2c1nc[nH]c2=O
Show InChI InChI=1S/C12H15F2N4O5P/c13-12(14,24(20,21)22)1-7-3-23-4-8(7)2-18-6-17-9-10(18)15-5-16-11(9)19/h5-8H,1-4H2,(H,15,16,19)(H2,20,21,22)/t7-,8-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 320n/an/an/an/an/an/a



Tokyo University of Pharmacy & Life Science

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of PNP-catalyzed inosine phosphorylation in human erythrocyte


Bioorg Med Chem Lett 9: 2833-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JQ107B
More data for this
Ligand-Target Pair