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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' and Ligand = 'BDBM50044419'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dihydrofolate reductase


(Mus musculus (Mouse))		BDBM50044419
PNG
(2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-hexyl]-b...)
Show SMILES CCCCCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C25H31N7O5/c1-2-3-4-5-16(12-17-13-28-22-20(29-17)21(26)31-25(27)32-22)14-6-8-15(9-7-14)23(35)30-18(24(36)37)10-11-19(33)34/h6-9,13,16,18H,2-5,10-12H2,1H3,(H,30,35)(H,33,34)(H,36,37)(H4,26,27,28,31,32)
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PubMed
>1n/an/an/an/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase (DHFR) enzyme derived from L1210 cells expressed as Ki (pM)

J Med Chem 36: 2228-31 (1993)


BindingDB Entry DOI: 10.7270/Q23N22FH
More data for this
Ligand-Target Pair