BDBM82116 1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, IIe::CHEMBL1800946
SMILES: NC1=NC2(CCCCC2)N(OCCCOc2ccccc2)C(N)=N1
InChI Key: InChIKey=SKLBDXCGGPLAAM-UHFFFAOYSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (DHFR) (Bos taurus (Cattle)) | BDBM82116 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine liver DHFR using dihydrofolic acid substrate by UV-visible spectrophotometry | Bioorg Med Chem 18: 737-43 (2010) Article DOI: 10.1016/j.bmc.2009.11.065 BindingDB Entry DOI: 10.7270/Q28C9X7M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (DHFR) (Bos taurus (Cattle)) | BDBM82116 (1,3,5-Triazaspiro[5.5]undeca-1,3-diene-2,4-diamine...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore | Assay Description Inhibition activity using bovine dihydrofolate reductase (DHFR). | Chem Biol Drug Des 74: 322-6 (2009) Article DOI: 10.1111/j.1747-0285.2009.00860.x BindingDB Entry DOI: 10.7270/Q24F1P74 | |||||||||||
More data for this Ligand-Target Pair |