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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50022330   
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))
BDBM50022330
PNG
(5-(2-Bromo-acetylamino)-2-{4-[(2,4-diamino-pteridi...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCNC(=O)CBr)C(O)=O
Show InChI InChI=1S/C22H26BrN9O4/c1-32(11-13-10-27-19-17(28-13)18(24)30-22(25)31-19)14-6-4-12(5-7-14)20(34)29-15(21(35)36)3-2-8-26-16(33)9-23/h4-7,10,15H,2-3,8-9,11H2,1H3,(H,26,33)(H,29,34)(H,35,36)(H4,24,25,27,30,31)
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Similars

PubMed
n/an/a 46n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase(DHFR) from L1210/R81 cells


J Med Chem 30: 1463-9 (1987)


BindingDB Entry DOI: 10.7270/Q28C9WTT
More data for this
Ligand-Target Pair