BDBM50019388 6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-hexanoic acid::6-amino-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)hexanoic acid::CHEMBL418165
SMILES: CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCCCN)C(O)=O
InChI Key: InChIKey=XERJQLWAFDLUGV-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 (Gallus gallus (Chicken)) | BDBM50019388 (6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using standard enzyme assay | J Med Chem 25: 475-7 (1982) BindingDB Entry DOI: 10.7270/Q2NP25QN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Mus musculus (Mouse)) | BDBM50019388 (6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for its ability to inhibit purified dihydrofolate reductase(DHFR) from L1210/R81 cells | J Med Chem 29: 655-60 (1986) BindingDB Entry DOI: 10.7270/Q2RR1ZTR | |||||||||||
More data for this Ligand-Target Pair |