BDBM50165350 CHEMBL192938::hydrogen 1-hydroxy-2-[3-(3-methylbenzyl)pyridinium-1-yl]-1-phosphonoethylphosphonate
SMILES: Cc1cccc(Cc2ccc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c2)c1
InChI Key: InChIKey=AJQUNJBCHWSKMF-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7)) | BDBM50165350 (CHEMBL192938 | hydrogen 1-hydroxy-2-[3-(3-methylbe...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 70 | 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 Binding affinity towards Farnesyl diphosphate synthase from leishmania major | J Med Chem 48: 2957-63 (2005) Article DOI: 10.1021/jm040209d BindingDB Entry DOI: 10.7270/Q2Z89D7K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase (Trypanosoma cruzi) | BDBM50165350 (CHEMBL192938 | hydrogen 1-hydroxy-2-[3-(3-methylbe...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.31E+12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibitory activity against Trypanosoma cruzi hexokinase | J Med Chem 49: 215-23 (2006) Article DOI: 10.1021/jm0582625 BindingDB Entry DOI: 10.7270/Q2BV7G6G | |||||||||||
More data for this Ligand-Target Pair |