BDBM50008286 2-[4-(1,3-Diamino-7,8,9,10-tetrahydro-pyrimido[4,5-c]isoquinolin-8-yl)-benzoylamino]-pentanedioic acid::CHEMBL109229
SMILES: Nc1nc(N)c2c3CCC(Cc3cnc2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
InChI Key: InChIKey=TWQHKMFGGWXDNM-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 (Mus musculus (Mouse)) | BDBM50008286 (2-[4-(1,3-Diamino-7,8,9,10-tetrahydro-pyrimido[4,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SRI International Curated by ChEMBL | Assay Description Inhibition of the dihydrofolate reductase enzyme(DHFR) derived from L1210 murine leukemia cells. | J Med Chem 35: 320-4 (1992) BindingDB Entry DOI: 10.7270/Q2WQ02RM | |||||||||||
More data for this Ligand-Target Pair |