BDBM50049907 7-(1-Ethyl-propyl)-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine::CHEMBL171765
SMILES: CCC(CC)n1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
InChI Key: InChIKey=CMDIFEGBCSWKEJ-UHFFFAOYSA-N
Data: 1 KI
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)) | BDBM50049907 (7-(1-Ethyl-propyl)-8-isopropyl-7H-pyrrolo[3,2-f]qu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human recombinant Dihydrofolate reductase enzyme | J Med Chem 39: 892-903 (1996) Article DOI: 10.1021/jm9505122 BindingDB Entry DOI: 10.7270/Q2XD10RC | |||||||||||
More data for this Ligand-Target Pair |