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SMILES: NC1=NC2(CCCC2)N(OCCCOc2ccc(F)cc2)C(N)=N1

InChI Key: InChIKey=XRKQPUUUPQMKIQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50348451   
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))		BDBM50348451
PNG
(CHEMBL1800938)
Show SMILES NC1=NC2(CCCC2)N(OCCCOc2ccc(F)cc2)C(N)=N1 |c:24,t:1|
Show InChI InChI=1S/C16H22FN5O2/c17-12-4-6-13(7-5-12)23-10-3-11-24-22-15(19)20-14(18)21-16(22)8-1-2-9-16/h4-7H,1-3,8-11H2,(H4,18,19,20,21)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 10.1n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry

Bioorg Med Chem 18: 737-43 (2010)


Article DOI: 10.1016/j.bmc.2009.11.065
BindingDB Entry DOI: 10.7270/Q28C9X7M
More data for this
Ligand-Target Pair