BDBM50026277 2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]-methyl}-benzoylamino)-pentanedioic acid::CHEMBL69713
SMILES: Nc1nc(N)c2cc(ccc2n1)N(Cc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O)C=O
InChI Key: InChIKey=RUGCGRLQNAZXOP-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50026277 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]...) | 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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of rat liver dihydrofolate reductase assayed spectrophotometrically at 340 nM | J Med Chem 28: 209-15 (1985) BindingDB Entry DOI: 10.7270/Q20C4TS5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Homo sapiens (Human)) | BDBM50026277 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]...) | 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 | 5.70 | 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) | BDBM50026277 (2-(4-{[(2,4-Diamino-quinazolin-6-yl)-formyl-amino]...) | 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 | >1.00E+4 | 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 |