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SMILES: CN(CCCON1C(N)=NC(N)=NC11CCCCC1)c1ccccc1

InChI Key: InChIKey=OYOCUJXFKLSLPY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 82117   
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
Dihydrofolate reductase


(Bos taurus (Cattle))		BDBM82117
PNG
(1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...)
Show SMILES CN(CCCON1C(N)=NC(N)=NC11CCCCC1)c1ccccc1 |c:8,11|
Show InChI InChI=1S/C18H28N6O/c1-23(15-9-4-2-5-10-15)13-8-14-25-24-17(20)21-16(19)22-18(24)11-6-3-7-12-18/h2,4-5,9-10H,3,6-8,11-14H2,1H3,(H4,19,20,21,22)
PDB

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Similars
Article
PubMed
n/an/a 41.4n/an/an/an/an/an/a



National University of Singapore



Assay Description
Inhibition activity using bovine dihydrofolate reductase (DHFR).

Chem Biol Drug Des 74: 322-6 (2009)


Article DOI: 10.1111/j.1747-0285.2009.00860.x
BindingDB Entry DOI: 10.7270/Q24F1P74
More data for this
Ligand-Target Pair