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

InChI Key: InChIKey=UDMPDXOEADBDOE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50028272   
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))		BDBM50028272
PNG
(6-Amino-2-[6-amino-2-(4-carboxy-4-{4-[(2,4-diamino...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N12O7/c1-44(17-19-16-37-27-25(38-19)26(35)42-32(36)43-27)20-10-8-18(9-11-20)28(46)40-23(31(50)51)12-13-24(45)39-21(6-2-4-14-33)29(47)41-22(30(48)49)7-3-5-15-34/h8-11,16,21-23H,2-7,12-15,17,33-34H2,1H3,(H,39,45)(H,40,46)(H,41,47)(H,48,49)(H,50,51)(H4,35,36,37,42,43)
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Similars
PubMed
n/an/a 86n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound towards dihydrofolate reductase in L1210 murine leukemia cell lines

J Med Chem 27: 888-93 (1984)


BindingDB Entry DOI: 10.7270/Q2J1026F
More data for this
Ligand-Target Pair