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SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc(O)c(O)c1)C(O)=O

InChI Key: InChIKey=DQPPYLOQOLLPQM-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023896   
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


(Mus musculus (Mouse))		BDBM50023896
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-ami...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C26H27N9O6/c1-35(12-15-11-29-23-21(31-15)22(27)33-26(28)34-23)16-5-2-13(3-6-16)24(39)32-17(25(40)41)7-9-20(38)30-14-4-8-18(36)19(37)10-14/h2-6,8,10-11,17,36-37H,7,9,12H2,1H3,(H,30,38)(H,32,39)(H,40,41)(H4,27,28,29,33,34)
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MMDB

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Similars
PubMed
n/an/a 31n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory concentration to inhibit the enzyme Dihydro Folate Reductase ( DHFR ) from murine L1210 leukemia cells.

J Med Chem 29: 1703-9 (1986)


BindingDB Entry DOI: 10.7270/Q2PR7WJ0
More data for this
Ligand-Target Pair