BDBM50268562 CHEMBL497616::N-Hydroxy-N-[3-(3-(3,4-dichlorophenoxy)phenyl)propyl]phosphonoacetamide Dipotassium Salt
SMILES: ON(CCCc1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(=O)CP([O-])([O-])=O
InChI Key: InChIKey=WJTDBJKLODQVOB-UHFFFAOYSA-L
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dehydrosqualene synthase (Staphylococcus aureus) | BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus histidine tagged dehydrosqualene synthase expressed in Escherichia coli BL21 (DE3) cells by continuous spectropho... | J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Squalene synthetase (Homo sapiens (Human)) | BDBM50268562 (CHEMBL497616 | N-Hydroxy-N-[3-(3-(3,4-dichlorophen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil... | J Med Chem 52: 3869-80 (2009) Article DOI: 10.1021/jm9001764 BindingDB Entry DOI: 10.7270/Q2XK8FF3 | |||||||||||
More data for this Ligand-Target Pair |