BDBM50006907 2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid::CHEMBL89641
SMILES: OC(=O)CCC(NC(=O)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1)C(O)=O
InChI Key: InChIKey=CSROEJXVRAZBAD-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)) | BDBM50006907 (2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-am...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 11 | 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 | |||||||||||||
Folylpoly-gamma-glutamate synthetase (Mus musculus) | BDBM50006907 (2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-am...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Binding affinity of the compound towards Folyl polyglutamate synthetase (FPGS) | J Med Chem 35: 2626-30 (1992) BindingDB Entry DOI: 10.7270/Q2DV1HVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate Synthase (TS) (Lactobacillus casei) | BDBM50006907 (2-{4-[(4-Oxo-3,4-dihydro-quinazolin-6-ylmethyl)-am...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.27E+4 | 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 |