BDBM50042378 2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]quinazoline-9-sulfonylamino)-benzoylamino]-pentanedioic acid::CHEMBL325972
SMILES: Nc1nc2CCc3ccc(cc3-c2c(=O)[nH]1)S(=O)(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
InChI Key: InChIKey=UCOXRAFKABNQQG-SFHVURJKSA-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 (Homo sapiens (Human)) | BDBM50042378 (2-[4-(3-Amino-1-oxo-1,2,5,6-tetrahydro-benzo[f]qui...) | 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 | PubMed | 2.5 | 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 purified human thymidylate synthase isolated from an E. coli harboring thy A gene cloned from SV40 transformed human fibroblast cells | J Med Chem 36: 3464-71 (1993) BindingDB Entry DOI: 10.7270/Q2K0739T | |||||||||||
More data for this Ligand-Target Pair |