BDBM25299 1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoethyl)-3-phenylpyridin-1-ium::CHEMBL192342::bisphosphonate, 46

SMILES: OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O

InChI Key: InChIKey=ZYEONEYSNIUGRA-UHFFFAOYSA-N

Data: 1 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

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 3 hits for monomerid = 25299   

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))	BDBM25299 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)	PDB KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9	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				3D Structure (crystal)
Hexokinase (Trypanosoma cruzi)	BDBM25299 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents 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
Geranylgeranyl Diphosphate Synthase (GGPPS) (Homo sapiens (Human))	BDBM25299 (1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...) Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...				J Med Chem 51: 5594-607 (2008) Article DOI: 10.1021/jm800325y BindingDB Entry DOI: 10.7270/Q2028PVT
					More data for this Ligand-Target Pair