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SMILES: OC[C@H]1N[C@H](C(O)[C@H]1O)c1c(F)[nH]c2c1nc[nH]c2=O

InChI Key: InChIKey=MIRJLTROAUGHCB-SZYGJNCVSA-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 = 50370251   
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))
BDBM50370251
PNG
(CHEMBL542455)
Show SMILES OC[C@H]1N[C@H](C(O)[C@H]1O)c1c(F)[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H13FN4O4/c12-10-4(5-7(16-10)11(20)14-2-13-5)6-9(19)8(18)3(1-17)15-6/h2-3,6,8-9,15-19H,1H2,(H,13,14,20)/t3-,6+,8+,9?/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
0.390n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant determined against human purine nucleoside phosphorylase (PNP) after slow-onset inhibition


J Med Chem 46: 3412-23 (2003)


Article DOI: 10.1021/jm030145r
BindingDB Entry DOI: 10.7270/Q2X92C29
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50370251
PNG
(CHEMBL542455)
Show SMILES OC[C@H]1N[C@H](C(O)[C@H]1O)c1c(F)[nH]c2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C11H13FN4O4/c12-10-4(5-7(16-10)11(20)14-2-13-5)6-9(19)8(18)3(1-17)15-6/h2-3,6,8-9,15-19H,1H2,(H,13,14,20)/t3-,6+,8+,9?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Industrial Research Limited

Curated by ChEMBL


Assay Description
Inhibition of human purine nucleoside phosphorylase; Initial rate.


J Med Chem 46: 3412-23 (2003)


Article DOI: 10.1021/jm030145r
BindingDB Entry DOI: 10.7270/Q2X92C29
More data for this
Ligand-Target Pair