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BDBM50051743 2-Pentylamino-1,9-dihydro-purin-6-one::CHEMBL84310

SMILES: CCCCCNc1nc2nc[nH]c2c(=O)[nH]1

InChI Key: InChIKey=FNFANTDRCKMQMY-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 = 50051743   
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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051743
PNG
(2-Pentylamino-1,9-dihydro-purin-6-one | CHEMBL8431...)
Show SMILES CCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-11-10-14-8-7(9(16)15-10)12-6-13-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.57E+4n/an/an/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))
BDBM50051743
PNG
(2-Pentylamino-1,9-dihydro-purin-6-one | CHEMBL8431...)
Show SMILES CCCCCNc1nc2nc[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-11-10-14-8-7(9(16)15-10)12-6-13-8/h6H,2-5H2,1H3,(H3,11,12,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.83E+4n/an/an/an/an/an/a



Università di Modena

Curated by ChEMBL


Assay Description
Inhibitory activity against Xanthine Oxidase


J Med Chem 39: 2529-35 (1996)


Article DOI: 10.1021/jm950876u
BindingDB Entry DOI: 10.7270/Q23R0RZS
More data for this
Ligand-Target Pair