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BDBM50405322 CHEMBL90106

SMILES: COc1c(O)cc(cc1[N+]([O-])=O)C(O)=O

InChI Key: InChIKey=YJNZVXWSDLXUFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50405322   
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
Thiopurine S-methyltransferase


(Homo sapiens (Human))
BDBM50405322
PNG
(CHEMBL90106)
Show SMILES COc1c(O)cc(cc1[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C8H7NO6/c1-15-7-5(9(13)14)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.91E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney thiopurine methyltransferase (TPMT)


J Med Chem 29: 354-8 (1986)


Article DOI: 10.1021/jm00153a009
BindingDB Entry DOI: 10.7270/Q2445NPZ
More data for this
Ligand-Target Pair