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BDBM50023897 4-tert-Butylcarbamoyl-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid::CHEMBL44697

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

InChI Key: InChIKey=OWZYQUSRFRFWTO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50023897   
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))		BDBM50023897
PNG
(4-tert-Butylcarbamoyl-2-{4-[(2,4-diamino-pteridin-...)
Show SMILES CC(C)(C)NC(=O)CCC(NC(=O)c1ccc(NCc2cnc3nc(N)nc(N)c3n2)cc1)C(O)=O
Show InChI InChI=1S/C23H29N9O4/c1-23(2,3)32-16(33)9-8-15(21(35)36)29-20(34)12-4-6-13(7-5-12)26-10-14-11-27-19-17(28-14)18(24)30-22(25)31-19/h4-7,11,15,26H,8-10H2,1-3H3,(H,29,34)(H,32,33)(H,35,36)(H4,24,25,27,30,31)
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Similars
PubMed
n/an/a 44n/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