Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
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 PubChem ID
CID: 126941
SID: 14760074
Canonical SMILES
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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Compound Formula C20H22N8O5
Compound Structure
Protein Name
 Protein Info 
Dihydrofolate reductase
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00374
Gene Name
DHFR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000220 KB
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 6 nM
   TI
   LI
   LO
   TS
2
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000341 WIL2
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 3.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 24 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.2 nM
2 IC50 = 1.6 nM
3 IC50 = 1.7 nM
4 IC50 = 1.97 nM
5 IC50 = 2 nM
6 IC50 = 2.1 nM
7 IC50 = 2.7 nM
8 IC50 = 3 nM
9 IC50 = 3.9 nM
10 IC50 = 4 nM
11 IC50 = 4.3 nM
12 IC50 = 5 nM
13 IC50 = 6.67 nM
14 IC50 = 7.1 nM
15 IC50 = 7.9 nM
16 IC50 = 9 nM
17 IC50 = 11.2 nM
18 IC50 = 14.5 nM
19 IC50 = 20 nM
20 IC50 = 22 nM
21 IC50 = 24 nM
22 IC50 = 24.99 nM
23 IC50 = 25 nM
24 IC50 = 30.9 nM
25 IC50 = 32.94 nM
26 IC50 = 35 nM
27 IC50 = 38 nM
28 IC50 = 40 nM
29 IC50 = 66 nM
30 IC50 = 80 nM
31 IC50 = 83 nM
32 IC50 = 1000 nM
33 IC50 = 1500 nM
34 Ki = 0.01 nM
35 Ki = 0.038 nM
36 Ki = 0.077 nM
37 Ki = 0.11 nM
38 Ki = 0.179 nM
39 Ki = 4420 nM