Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50235697
Substrate
n/a
Meas. Tech.
ChEMBL_1657731 (CHEMBL4007201)
IC50
>27000±n/a nM
Citation
 Zaware, N; Kisliuk, R; Bastian, A; Ihnat, MA; Gangjee, A Synthesis and evaluation of 5-(arylthio)-9H-pyrimido[4,5-b]indole-2,4-diamines as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents. Bioorg Med Chem Lett 27:1602-1607 (2017) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50235697
Synonyms:
CHEMBL4088617
Type:
Small organic molecule
Emp. Form.:
C20H15N5S
Mol. Mass.:
357.432
SMILES:
Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3cccc4ccccc34)c21
Structure:
Search PDB for entries with ligand similarity: