BDBM50022233 4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-ethynyl-amino]-benzoylamino}-4-carboxy-butyrylamino)-4-carboxy-butyric acid anion
SMILES: Nc1nc2ccc(CN(C#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(=O)NC(CCC([O-])=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=CUZJGZKZBQUBIR-UHFFFAOYSA-M
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50022233 (4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 14 | 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 | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50022233 (4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase of Streptococcus faecium | J Med Chem 29: 1754-60 (1986) BindingDB Entry DOI: 10.7270/Q2K074VD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50022233 (4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.60E+3 | 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 (Homo sapiens (Human)) | BDBM50022233 (4-(2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase of Streptococcus faecium | J Med Chem 29: 1754-60 (1986) BindingDB Entry DOI: 10.7270/Q2K074VD | |||||||||||
More data for this Ligand-Target Pair |