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BDBM50195597 2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]amino]methyl]-4H-pyrrolo[3,2-d]pyrimidin-4-one diacetate

SMILES: Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=RQFCXZOEUWEVIX-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50195597   
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))
BDBM50195597
PNG
(2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]...)
Show SMILES Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O3/c12-11-14-8-7(5-13-9(8)10(19)15-11)6-16(1-3-17)2-4-18/h5,13,17-18H,1-4,6H2,(H3,12,14,15,19)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50195597
PNG
(2-amino-1,5-dihydro-7-[[N,N-bis-[2-(hydroxy)ethyl]...)
Show SMILES Nc1nc2c(CN(CCO)CCO)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C11H17N5O3/c12-11-14-8-7(5-13-9(8)10(19)15-11)6-16(1-3-17)2-4-18/h5,13,17-18H,1-4,6H2,(H3,12,14,15,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of human PNP activity


J Med Chem 49: 6037-45 (2006)


Article DOI: 10.1021/jm060547+
BindingDB Entry DOI: 10.7270/Q2NV9K11
More data for this
Ligand-Target Pair