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BDBM50108005 2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one::9-DEAZAGUANINE::CHEMBL367746

SMILES: Nc1nc2cc[nH]c2c(=O)[nH]1

InChI Key: InChIKey=FFYPRJYSJODFFD-UHFFFAOYSA-N

Data: 1 IC50  2 Kd

PDB links: 4 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50108005   
Target
(Institution)
LigandTarget
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
Ricin


(Ricinus communis)
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
PDB
MMDB

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KEGG

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 1.40E+6n/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibitory concentration against Enzymatic A chain of ricin (RTA) using Artemia salina ribosomes


J Med Chem 45: 90-8 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/an/a 160n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by isothermal titration calorimetry


Bioorg Med Chem 20: 6758-69 (2012)

More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Bos taurus (bovine))
BDBM50108005
PNG
(2-Amino-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one ...)
Show SMILES Nc1nc2cc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)
PDB
MMDB

Reactome pathway
SMPDB pathway

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
Article
PubMed
n/an/an/a 170n/an/an/an/an/a



University of Warsaw

Curated by ChEMBL


Assay Description
Binding affinity to calf recombinant PNP expressed in Escherichia coli BL21 (DE3) by fluorimetric titration analysis


Bioorg Med Chem 20: 6758-69 (2012)

More data for this
Ligand-Target Pair