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SMILES: CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)C(=O)OCC

InChI Key: InChIKey=ZUFZPDXNEHVERV-MHZLTWQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448351   
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))		BDBM50448351
PNG
(CHEMBL3121446)
Show SMILES CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(CC)Cc1nc2cc(ccc2nc1-c1ccccc1)C(F)(F)F)C(=O)OCC |r|
Show InChI InChI=1S/C34H35F3N4O5/c1-4-41(25-15-12-23(13-16-25)32(43)40-27(33(44)46-6-3)18-19-30(42)45-5-2)21-29-31(22-10-8-7-9-11-22)39-26-17-14-24(34(35,36)37)20-28(26)38-29/h7-17,20,27H,4-6,18-19,21H2,1-3H3,(H,40,43)/t27-/m0/s1
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Similars
Article
PubMed
 4.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Sassari

Curated by ChEMBL


Assay Description
Competitive inhibition of human dihydrofolate reductase by spectrophotometry

Eur J Med Chem 75: 169-83 (2014)


Article DOI: 10.1016/j.ejmech.2014.01.048
BindingDB Entry DOI: 10.7270/Q2PR7XGH
More data for this
Ligand-Target Pair