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SMILES: Oc1nn(CC2CC2)nc1C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1ccccc1

InChI Key: InChIKey=KCDSBKZJAOGYEM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235590   
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


(Homo sapiens (Human))		BDBM50235590
PNG
(CHEMBL4071260)
Show SMILES Oc1nn(CC2CC2)nc1C(=O)Nc1c(F)c(F)c(c(F)c1F)-c1ccccc1
Show InChI InChI=1S/C19H14F4N4O2/c20-12-11(10-4-2-1-3-5-10)13(21)15(23)16(14(12)22)24-18(28)17-19(29)26-27(25-17)8-9-6-7-9/h1-5,9H,6-8H2,(H,24,28)(H,26,29)
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MMDB

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Article
PubMed
n/an/a 108n/an/an/an/an/an/a



University of Torino

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal truncated GST-tagged DHFR (31 to 395 residues) expressed in Escherichia coli BL21(DE3) pyrD using DHO as s...

Eur J Med Chem 129: 287-302 (2017)


Article DOI: 10.1016/j.ejmech.2017.02.017
BindingDB Entry DOI: 10.7270/Q2KD215F
More data for this
Ligand-Target Pair