BindingDB logo
myBDB logout

BDBM50159131 9-Benzyl-8-morpholin-4-yl-6-(4-nitro-benzylsulfanyl)-9H-purine::CHEMBL361422

SMILES: [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4)c(nc23)N2CCOCC2)cc1

InChI Key: InChIKey=IHQICKGSZFEXQL-UHFFFAOYSA-N

Data: 1 KI

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 = 50159131   
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
Equilibrative Nucleoside Transporter 1 (ENT1)


(Homo sapiens (Human))
BDBM50159131
PNG
(9-Benzyl-8-morpholin-4-yl-6-(4-nitro-benzylsulfany...)
Show SMILES [O-][N+](=O)c1ccc(CSc2ncnc3n(Cc4ccccc4)c(nc23)N2CCOCC2)cc1
Show InChI InChI=1S/C23H22N6O3S/c30-29(31)19-8-6-18(7-9-19)15-33-22-20-21(24-16-25-22)28(14-17-4-2-1-3-5-17)23(26-20)27-10-12-32-13-11-27/h1-9,16H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
51n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes


J Med Chem 48: 321-9 (2005)


Article DOI: 10.1021/jm049303k
BindingDB Entry DOI: 10.7270/Q29024J0
More data for this
Ligand-Target Pair