BDBM50022236 (S)-2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-but-2-ynyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL48619
SMILES: CC#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=ORPRCRXYBFNNIJ-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) | BDBM50022236 ((S)-2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase of Lactobacillus casei | J Med Chem 29: 1754-60 (1986) BindingDB Entry DOI: 10.7270/Q2K074VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50022236 ((S)-2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase of Lactobacillus casei | J Med Chem 29: 1754-60 (1986) BindingDB Entry DOI: 10.7270/Q2K074VD | |||||||||||
More data for this Ligand-Target Pair |