BDBM242739 US9422297, PDDF
SMILES: Nc1nc(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)ccc2[nH]1
InChI Key: InChIKey=LTKHPMDRMUCUEB-UHFFFAOYSA-N
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 (TS) (Escherichia coli) | BDBM242739 (US9422297, PDDF) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB US Patent | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University of the Holy Ghost US Patent | Assay Description Inhibition of various kinase enzyme. | US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thymidylate synthase (Homo sapiens (Human)) | BDBM242739 (US9422297, PDDF) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | US Patent | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Duquesne University of the Holy Ghost US Patent | Assay Description Inhibition of various kinase enzyme. | US Patent US9422297 (2016) BindingDB Entry DOI: 10.7270/Q2MC8XX9 | |||||||||||
More data for this Ligand-Target Pair |