BDBM50294208 CHEMBL565059::methyl 2-(2-(3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)acryloyl)-1,2-dihydrophthalazin-1-yl)-2-methylpropanoate
SMILES: COC(=O)C(C)(C)C1N(N=Cc2ccccc12)C(=O)\C=C\c1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
InChI Key: InChIKey=SMPLMPJVQOYTOJ-ZHACJKMWSA-N
Data: 2 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 (Homo sapiens (Human)) | BDBM50294208 (CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.13E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oklahoma State University Curated by ChEMBL | Assay Description Inhibition of human recombinant DHFR | Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydrofolate reductase (Rattus norvegicus (rat)) | BDBM50294208 (CHEMBL565059 | methyl 2-(2-(3-(5-((2,4-diaminopyri...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Oklahoma State University Curated by ChEMBL | Assay Description Inhibition of rat DHFR | Antimicrob Agents Chemother 51: 4447-52 (2007) Article DOI: 10.1128/AAC.00628-07 BindingDB Entry DOI: 10.7270/Q25M65RK | |||||||||||
More data for this Ligand-Target Pair |