BDBM50138049 (4-heptylphenylamino)methylenediphosphonic acid::CHEMBL433833::[(4-heptyl-phenylamino)-phosphono-methyl]-phosphonic acid::[(4-heptylphenyl)aminomethylene]-1,1-bisphosphonate
SMILES: CCCCCCCc1ccc(NC(P(O)(O)=O)P(O)(O)=O)cc1
InChI Key: InChIKey=IGHWTRWWSFAETJ-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7)) | BDBM50138049 ((4-heptylphenylamino)methylenediphosphonic acid | ...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+5 | 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 Leishmania major Farnesyl diphosphate synthase | J Med Chem 47: 175-87 (2003) Article DOI: 10.1021/jm030084x BindingDB Entry DOI: 10.7270/Q2FN15N5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Farnesyl pyrophosphate synthase (Plasmodium falciparum (isolate 3D7)) | BDBM50138049 ((4-heptylphenylamino)methylenediphosphonic acid | ...) | PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+13 | 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 FPPS in Leishmania major | 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 | |||||||||||||
Hexokinase (Trypanosoma cruzi) | BDBM50138049 ((4-heptylphenylamino)methylenediphosphonic acid | ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto Venezolano de Investigaciones Cient£ficas Curated by ChEMBL | Assay Description Inhibition of Trypanosoma cruzi hexokinase | J Biol Chem 282: 12377-87 (2007) Article DOI: 10.1074/jbc.M607286200 BindingDB Entry DOI: 10.7270/Q2FT8MXH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hexokinase (Trypanosoma cruzi) | BDBM50138049 ((4-heptylphenylamino)methylenediphosphonic acid | ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.45E+3 | 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 |