BDBM50405733 CHEMBL406575
SMILES: Nc1nc2ccc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)cc2c(=O)[nH]1
InChI Key: InChIKey=JHSDRNYPBAGTMU-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thymidylate synthase (Homo sapiens (Human)) | BDBM50405733 (CHEMBL406575) | 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 | 0.0420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pedagogical University Curated by ChEMBL | Assay Description Compound was tested for inhibition of human (WI-L2) thymidylate synthase | J Med Chem 32: 160-5 (1989) BindingDB Entry DOI: 10.7270/Q2RR20FM | |||||||||||
More data for this Ligand-Target Pair |