BDBM50016796 CHEMBL3273852
SMILES: CN(CC1=Nc2c(N)nc(N)nc2N(Cc2ccccc2)C1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=OWZNZEJMIDODOZ-FQEVSTJZSA-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 (Lactobacillus casei) | BDBM50016796 (CHEMBL3273852) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of MTX-resistant Lactobacillus casei dihydrofolate reductase | J Med Chem 20: 1323-7 (1977) BindingDB Entry DOI: 10.7270/Q2SX6FRK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50016796 (CHEMBL3273852) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of MTX-resistant Lactobacillus casei thymidylate synthetase | J Med Chem 20: 1323-7 (1977) BindingDB Entry DOI: 10.7270/Q2SX6FRK | |||||||||||
More data for this Ligand-Target Pair |