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SMILES: Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=YJOJXOBQNSPCAC-PHDIDXHHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50081807   
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))
BDBM50081807
PNG
(({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...)
Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1
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PC cid
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PubMed
28n/an/an/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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50081807
PNG
(({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...)
Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/s1
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antibodypedia
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PC cid
PC sid
UniChem

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PubMed
n/an/a 390n/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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50081807
PNG
(({(1R,2S)-2-[2-(2-Amino-6-oxo-1,6-dihydro-purin-9-...)
Show SMILES Nc1nc2n(CC[C@@H]3C[C@H]3C(F)(F)P(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C11H14F2N5O4P/c12-11(13,23(20,21)22)6-3-5(6)1-2-18-4-15-7-8(18)16-10(14)17-9(7)19/h4-6H,1-3H2,(H2,20,21,22)(H3,14,16,17,19)/t5-,6-/m1/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 330n/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