BindingDB logo
myBDB logout

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

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents

AffyNet 
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


Citation and Details
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

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 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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair