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SMILES: Nc1nc(N)c(c(OCc2ccccc2F)n1)[N+]([O-])=O

InChI Key: InChIKey=ZBWCHONBRHUQLU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50062822   
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
Methylated-DNA--protein-cysteine methyltransferase


(Homo sapiens (Human))		BDBM50062822
PNG
(6-(2-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diam...)
Show SMILES Nc1nc(N)c(c(OCc2ccccc2F)n1)[N+]([O-])=O
Show InChI InChI=1S/C11H10FN5O3/c12-7-4-2-1-3-6(7)5-20-10-8(17(18)19)9(13)15-11(14)16-10/h1-4H,5H2,(H4,13,14,15,16)
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Nagoya City University

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human O6-alkylguanine-DNA alkyltransferase (AGAT)

J Med Chem 41: 503-8 (1998)


Article DOI: 10.1021/jm970363i
BindingDB Entry DOI: 10.7270/Q21G0KD5
More data for this
Ligand-Target Pair