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BDBM50180148 CHEMBL202878::[4-fluoro-3-phenylphenylamino]methylenebiphosphonic acid

SMILES: OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O

InChI Key: InChIKey=GYJMOIAZSFBVFH-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50180148   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Farnesyl pyrophosphate synthase


(Plasmodium falciparum (isolate 3D7))
BDBM50180148
PNG
(CHEMBL202878 | [4-fluoro-3-phenylphenylamino]methy...)
Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H14FNO6P2/c14-12-7-6-10(8-11(12)9-4-2-1-3-5-9)15-13(22(16,17)18)23(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.86E+4n/an/an/an/an/an/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)
BDBM50180148
PNG
(CHEMBL202878 | [4-fluoro-3-phenylphenylamino]methy...)
Show SMILES OP(O)(=O)C(Nc1ccc(F)c(c1)-c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C13H14FNO6P2/c14-12-7-6-10(8-11(12)9-4-2-1-3-5-9)15-13(22(16,17)18)23(19,20)21/h1-8,13,15H,(H2,16,17,18)(H2,19,20,21)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.63E+3n/an/an/an/an/an/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