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SMILES: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O

InChI Key: InChIKey=HPOCGNHBIFZCAN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50404462   
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


(Escherichia coli)		BDBM50404462
PNG
(4-Hydroxytrimethoprim | CHEMBL1181)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
Show InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Illinois at Chicago 60612

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Escherichia coli Dihydrofolate reductase.

J Med Chem 39: 4825-32 (1996)


Article DOI: 10.1021/jm960491r
BindingDB Entry DOI: 10.7270/Q2668GXG
More data for this
Ligand-Target Pair