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BDBM50023718 5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanoic acid::CHEMBL423297

SMILES: CC(=O)NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O

InChI Key: InChIKey=RQVSBXOGFNAFLR-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023718   
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))		BDBM50023718
PNG
(5-Acetylamino-2-{4-[(2,4-diamino-pteridin-6-ylmeth...)
Show SMILES CC(=O)NCCCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C21H25N9O4/c1-11(31)24-8-2-3-15(20(33)34)28-19(32)12-4-6-13(7-5-12)25-9-14-10-26-18-16(27-14)17(22)29-21(23)30-18/h4-7,10,15,25H,2-3,8-9H2,1H3,(H,24,31)(H,28,32)(H,33,34)(H4,22,23,26,29,30)
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Similars
PubMed
n/an/a 28n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells

J Med Chem 31: 1332-7 (1988)


BindingDB Entry DOI: 10.7270/Q2697454
More data for this
Ligand-Target Pair