BDBM50249798 CHEMBL4059962
SMILES: COc1cc2n(C)c(=O)c(C)cc2cc1NS(=O)(=O)c1ccc(cc1)C#N
InChI Key: InChIKey=XULQOMADHZABKB-UHFFFAOYSA-N
Data: 3 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA gyrase subunit A/B (Escherichia coli (strain K12)) | BDBM50249798 (CHEMBL4795890) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm | Citation and Details | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA topoisomerase 4 subunit A/B (Staphylococcus aureus) | BDBM50249798 (CHEMBL4795890) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Assay Description Inhibition of BRD4 bromodomain 1 (unknown origin) incubated in dark for 30 mins by TR-FRET assay | Citation and Details | |||||||||||
More data for this Ligand-Target Pair |