BDBM50173765 BPH-308::CHEMBL196749::[2-(2',4'-Difluoro-biphenyl-3-yl)-1-hydroxy-1-phosphono-ethyl]-phosphonic acid
SMILES: OC(Cc1cccc(c1)-c1ccc(F)cc1F)(P(O)(O)=O)P(O)(O)=O
InChI Key: InChIKey=SQJZGUCJSOQOMH-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei) | BDBM50173765 (BPH-308 | CHEMBL196749 | [2-(2',4'-Difluoro-biphen...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.38E+5 | 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 recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli | J Med Chem 48: 6128-39 (2005) Article DOI: 10.1021/jm058220g BindingDB Entry DOI: 10.7270/Q2F47PX2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
cis-Decaprenyl diphosphate synthase (cis-DPPS) (Mycobacterium tuberculosis H37Rv) | BDBM50173765 (BPH-308 | CHEMBL196749 | [2-(2',4'-Difluoro-biphen...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of California San Diego | Assay Description We screened an in-house library of 53 compounds using trans-FPP as substrate. Briefly, the condensation of IPP and GPP, FPP, or cis-FPP catalyzed by ... | Chem Biol Drug Des 85: 756-69 (2015) Article DOI: 10.1111/cbdd.12463 BindingDB Entry DOI: 10.7270/Q2ZG6QZN | |||||||||||
More data for this Ligand-Target Pair |