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Target
Dihydrofolate reductase
Ligand
BDBM50314076
Substrate
n/a
Meas. Tech.
ChEMBL_627428 (CHEMBL1115358)
IC50
>33000±n/a nM
Citation
 Gangjee, A; Zaware, N; Raghavan, S; Ihnat, M; Shenoy, S; Kisliuk, RL Single agents with designed combination chemotherapy potential: synthesis and evaluation of substituted pyrimido[4,5-b]indoles as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents. J Med Chem 53:1563-78 (2010) [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:
BDBM50314076
Synonyms:
5-(phenylthio)-9H-pyrimido[4,5-b]indole-2,4-diamine | CHEMBL1093099 | US9422297, AAG-148-43
Type:
Small organic molecule
Emp. Form.:
C16H13N5S
Mol. Mass.:
307.373
SMILES:
Nc1nc(N)c2c(n1)[nH]c1cccc(Sc3ccccc3)c21
Structure:
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