BDBM97444 PT443
SMILES: Oc1cc(Br)ccc1Oc1ccccc1C#N
InChI Key: InChIKey=SWPZEWZJHQNNSR-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Enoyl-ACP Reductase (FabI) (Staphylococcus aureus) | BDBM97444 (PT443) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Stony Brook University | Assay Description ThermoFluor experiments were carried out in 96-well plates (Concord) using the CFX96 RealTime PCR Detection system and C1000 Thermal Cycler (BioRad). | Biochemistry 52: 4217-28 (2013) Article DOI: 10.1021/bi400413c BindingDB Entry DOI: 10.7270/Q2610XZJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-ACP reductase (FabI1) (Burkholderia pseudomallei) | BDBM97444 (PT443) | UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1 | -12.3 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Stony Brook University | Assay Description Slow-onset inhibition kinetics were monitored at 340 nm on a Cary 100 spectrophotometer (Varian) at 25 °C in 30 mM PIPES buffer (pH 8.0) containing 1... | Biochemistry 56: 1865-1878 (2017) Article DOI: 10.1021/acs.biochem.6b01048 BindingDB Entry DOI: 10.7270/Q2NP239F | |||||||||||
More data for this Ligand-Target Pair |