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BDBM50423778 Leukerin::MERCAPTOPURINE::Mercaleukin::Mercaptopurine anhydrous::Purinethol

SMILES: S=c1[nH]cnc2nc[nH]c12

InChI Key: InChIKey=GLVAUDGFNGKCSF-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50423778   
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
Bile salt export pump


(Homo sapiens (Human))
BDBM50423778
PNG
(Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...)
Show SMILES S=c1[nH]cnc2nc[nH]c12
Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
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CHEBI
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...


Toxicol Sci 136: 216-41 (2013)


Article DOI: 10.1093/toxsci/kft176
BindingDB Entry DOI: 10.7270/Q2JM2D2D
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Mycobacterium tuberculosis)
BDBM50423778
PNG
(Leukerin | MERCAPTOPURINE | Mercaleukin | Mercapto...)
Show SMILES S=c1[nH]cnc2nc[nH]c12
Show InChI InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEBI
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.94E+4n/an/an/an/an/a



Pontifical Catholic University of Rio Grande do Sul

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysis


Bioorg Med Chem 18: 4769-74 (2011)


Article DOI: 10.1016/j.bmc.2010.05.009
BindingDB Entry DOI: 10.7270/Q2TQ62T5
More data for this
Ligand-Target Pair