BDBM50332930 5-methyl-1-(4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-enyl)pyrimidine-2,4(1H,3H)-dione::CHEMBL1632625
SMILES: Cc1cn(C\C=C\CN2C(=O)c3cccc4cccc2c34)c(=O)[nH]c1=O
InChI Key: InChIKey=QZCGIHOVXKABID-NSCUHMNNSA-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 kinase (Mycobacterium tuberculosis) | BDBM50332930 (5-methyl-1-(4-(2-oxobenzo[cd]indol-1(2H)-yl)but-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (CSIC) Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis Thymidine monophosphate kinase by spectrophotometry | Eur J Med Chem 45: 5910-8 (2010) Article DOI: 10.1016/j.ejmech.2010.09.056 BindingDB Entry DOI: 10.7270/Q2PN95WH | |||||||||||
More data for this Ligand-Target Pair |