BDBM50024473 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-pentanedioic acid (H4-PDDF)::CHEMBL22793
SMILES: Nc1nc2CCC(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1
InChI Key: InChIKey=ZOLYPGWZGDQXCC-UHFFFAOYSA-N
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 (Mus musculus) | BDBM50024473 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for the inhibition of thymidylate synthase in permeabilised L1210 cells | J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Mus musculus) | BDBM50024473 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for the inhibition of thymidylate synthase in intact L1210 cells | J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Lactobacillus casei) | BDBM50024473 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for the inhibition of dihydrofolate reductase in L. casei | J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50024473 (2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Evaluated for the inhibition of thymidylate synthase in L. casei | J Med Chem 30: 1256-61 (1987) BindingDB Entry DOI: 10.7270/Q2R49PRC | |||||||||||
More data for this Ligand-Target Pair |