BindingDB logo
myBDB logout

null

SMILES: Nc1nc2n(CCN(CCCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1

InChI Key: InChIKey=FHJJMUFCZBJWLE-UHFFFAOYSA-N

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 1 hit for monomerid = 50059911   
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))		BDBM50059911
PNG
(CHEMBL3394314)
Show SMILES Nc1nc2n(CCN(CCCCP(O)(O)=O)CCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C13H24N6O7P2/c14-13-16-11-10(12(20)17-13)15-9-19(11)5-4-18(6-8-28(24,25)26)3-1-2-7-27(21,22)23/h9H,1-8H2,(H2,21,22,23)(H2,24,25,26)(H3,14,16,17,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 300n/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