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

InChI Key: InChIKey=VPFFNEJSNBDWAA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023405   
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))		BDBM50023405
PNG
(3-(Carboxymethyl-{4-[(2,4-diamino-pteridin-6-ylmet...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N(CCC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-27(9-12-8-23-18-16(24-12)17(21)25-20(22)26-18)13-4-2-11(3-5-13)19(33)28(10-15(31)32)7-6-14(29)30/h2-5,8H,6-7,9-10H2,1H3,(H,29,30)(H,31,32)(H4,21,22,23,25,26)
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Similars
PubMed
n/an/a 38n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase(DHFR)

J Med Chem 31: 763-8 (1988)


BindingDB Entry DOI: 10.7270/Q24J0FPQ
More data for this
Ligand-Target Pair