BDBM50017875 2-{4-[Ethyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL170846
SMILES: CCN(Cc1ccc2nc[nH]c(=O)c2c1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=BCAXXUAMVUQADK-UHFFFAOYSA-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 |
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Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50017875 (2-{4-[Ethyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmeth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of partially purified rat liver Dihydrofolate reductase (DHFR) enzyme. | J Med Chem 32: 847-52 (1989) BindingDB Entry DOI: 10.7270/Q2BP01SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50017875 (2-{4-[Ethyl-(4-oxo-3,4-dihydro-quinazolin-6-ylmeth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibitory concentration of compound to inhibit Thymidylate synthase (TS) in L1210 cells at conc. of 200 microM | J Med Chem 32: 847-52 (1989) BindingDB Entry DOI: 10.7270/Q2BP01SB | |||||||||||
More data for this Ligand-Target Pair |