BDBM50025236 2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid::2-{4-[(2-Amino-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-formyl-amino]-benzoylamino}-pentanedioic acid::CHEMBL140448
SMILES: Nc1nc2ccc(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=QHUBQNFYSLRYQG-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycinamide ribonucleotide formyltransferase (GARFTase) (Homo sapiens (Human)) | BDBM50025236 (2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-fo...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of GAR transformylase isolated from murine lymphoma cell line L5178Y | J Med Chem 29: 2117-9 (1986) BindingDB Entry DOI: 10.7270/Q20G3J5F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50025236 (2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-fo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina Curated by ChEMBL | Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) obtained from human WIL2 cells | J Med Chem 31: 449-54 (1988) BindingDB Entry DOI: 10.7270/Q2DF6SD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidylate synthase (Mus musculus) | BDBM50025236 (2-{4-[(2-Amino-4-hydroxy-quinazolin-6-ylmethyl)-fo...) | 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 | 9.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina Curated by ChEMBL | Assay Description Inhibitory activity against thymidylate synthase isolated from L1210 leukemia cells | J Med Chem 31: 449-54 (1988) BindingDB Entry DOI: 10.7270/Q2DF6SD0 | |||||||||||
More data for this Ligand-Target Pair |