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SMILES: OP(O)(=O)CCCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O

InChI Key: InChIKey=UBBYDRJNNDXCEB-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50059914   
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
Hypoxanthine-guanine phosphoribosyltransferase


(Homo sapiens (Human))
BDBM50059914
PNG
(CHEMBL3394311)
Show SMILES OP(O)(=O)CCCCN(CCn1cnc2c1nc[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C13H23N5O7P2/c19-13-11-12(14-9-15-13)18(10-16-11)5-4-17(6-8-27(23,24)25)3-1-2-7-26(20,21)22/h9-10H,1-8H2,(H,14,15,19)(H2,20,21,22)(H2,23,24,25)
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MMDB

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Similars

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of human HGPRT


J Med Chem 58: 827-46 (2015)


Article DOI: 10.1021/jm501416t
BindingDB Entry DOI: 10.7270/Q2HM5B3V
More data for this
Ligand-Target Pair