BDBM50405401 CHEMBL2051990
SMILES: CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=FSIRXIHZBIXHKT-NHYWBVRUSA-N
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 (Mus musculus (Mouse)) | BDBM50405401 (CHEMBL2051990) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against Dihydrofolate reductase of L1210 cells | J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50405401 (CHEMBL2051990) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Lactobacillus casei ATCC 7469 | J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Gallus gallus (Chicken)) | BDBM50405401 (CHEMBL2051990) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of dihydrofolate reductase (DHFR) derived from Chicken liver | J Med Chem 29: 1056-61 (1986) BindingDB Entry DOI: 10.7270/Q2P55MHM | |||||||||||
More data for this Ligand-Target Pair |