BDBM50173790 2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic acid::BPH-312::CHEMBL381465::[2-(Biphenyl-3-ylamino)-1-phosphono-ethyl]-phosphonic acid
SMILES: OP(O)(=O)C(CNc1cccc(c1)-c1ccccc1)P(O)(O)=O
InChI Key: InChIKey=ZZAHNSHQUCHSBD-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 |
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cis-Decaprenyl diphosphate synthase (cis-DPPS) (Mycobacterium tuberculosis H37Rv) | BDBM50173790![]() (2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | 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 | |||||||||||||
Hexokinase (Trypanosoma cruzi) | BDBM50173790![]() (2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents 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 | |||||||||||||
Vacuolar-type proton translocating pyrophosphatase 1 (Trypanosoma brucei) | BDBM50173790![]() (2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.97E+4 | 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 | |||||||||||||
Hexokinase (Trypanosoma cruzi) | BDBM50173790![]() (2-(biphenyl-3-ylamino)ethane-1,1-diyldiphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.47E+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 |