BDBM50227822 CHEMBL3392216
SMILES: NC1=NC(=O)C2N(Cc3cn([C@H]4C[C@H](O)[C@@H](COP(O)(O)=O)O4)c(=O)[nH]c3=O)C(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)CCC2=N1
InChI Key: InChIKey=ZKBOWBMIDXICLI-AFZQRZEESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase/GAR transformylase/AICAR transformylase (Homo sapiens (Human)) | BDBM50227822 (CHEMBL3392216) | 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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah Curated by ChEMBL | Assay Description Inhibition of compound against thymidylate synthetase | J Med Chem 32: 2-7 (1989) BindingDB Entry DOI: 10.7270/Q2BV7H6W | |||||||||||
More data for this Ligand-Target Pair |